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    CAS 1030825-20-7

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    CAS 1030825-20-7
    Also known as: 1030825-20-7, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene, W76hxe3gl5, 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene, Mfcd21496340, 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene
    Molecular Formula
    C18H14BrFS
    Molecular Weight
    361.3  g/mol
    InChI Key
    VLRIERSBZHUCOW-UHFFFAOYSA-N
    FDA UNII
    W76HXE3GL5
    1 2D Structure

    CAS 1030825-20-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
    2.1.2 InChI
    InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
    2.1.3 InChI Key
    VLRIERSBZHUCOW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    W76HXE3GL5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1030825-20-7

    2. 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene

    3. W76hxe3gl5

    4. 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene

    5. Mfcd21496340

    6. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

    7. 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene

    8. 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-thiophene

    9. Thiophene, 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)-

    10. Canagliflozin Intermediates

    11. Unii-w76hxe3gl5

    12. Schembl154701

    13. Amy4161

    14. Dtxsid10677368

    15. Bcp07730

    16. Cs-m1889

    17. Bbl103020

    18. Stl556829

    19. Zinc71973419

    20. Akos016004335

    21. Ac-26308

    22. As-20009

    23. Da-28029

    24. Sy112941

    25. B5335

    26. Ft-0697204

    27. A852065

    28. A1-00243

    29. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorphenyl)-thiophene

    30. 2-[(5-bromo-2-methyl-phenyl)methyl]-5-(4-fluorophenyl)thiophene

    31. Thiophene,2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-

    32. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene;2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

    2.4 Create Date
    2010-11-01
    3 Chemical and Physical Properties
    Molecular Weight 361.3 g/mol
    Molecular Formula C18H14BrFS
    XLogP36.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass359.99836 g/mol
    Monoisotopic Mass359.99836 g/mol
    Topological Polar Surface Area28.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity329
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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          Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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              Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
              Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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                Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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