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    CAS 1012341-48-8 manufacturers and suppliers on PharmaCompass

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    JXTNUXJSXXIIFE-VISDOYDDSA-N

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    JXTNUXJSXXIIFE-VISDOYDDSA-N
    Also known as: 1012341-48-8, (r)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methyl-pent-(e)-2-enoic acid, Schembl18765, Schembl30867, (2e,4r)-5-[1,1'-biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic acid, Ambz0394
    Molecular Formula
    C23H27NO4
    Molecular Weight
    381.5  g/mol
    InChI Key
    JXTNUXJSXXIIFE-VISDOYDDSA-N
    1 2D Structure

    JXTNUXJSXXIIFE-VISDOYDDSA-N

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoic acid
    2.1.2 InChI
    InChI=1S/C23H27NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-14,20H,15H2,1-4H3,(H,24,27)(H,25,26)/b16-14+/t20-/m0/s1
    2.1.3 InChI Key
    JXTNUXJSXXIIFE-VISDOYDDSA-N
    2.1.4 Canonical SMILES
    CC(=CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
    2.1.5 Isomeric SMILES
    C/C(=C\[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)/C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1012341-48-8

    2. (r)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methyl-pent-(e)-2-enoic Acid

    3. Schembl18765

    4. Schembl30867

    5. (2e,4r)-5-[1,1'-biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid

    6. Ambz0394

    7. Dtxsid401116519

    8. Bcp13349

    9. Mfcd28386950

    10. Zinc112956930

    11. Am85443

    12. Ac-29322

    13. Ds-19201

    14. Cs-0009330

    15. A854856

    16. (2e,4r)-4-{[(tert-butoxy)carbonyl]amino}-2-methyl-5-(4-phenylphenyl)pent-2-enoic Acid

    17. (2e,4r)-5-(4-biphenylyl)-4-(tert-butoxycarbonylamino)-2-methyl-2-pentenoic Acid

    18. (e)-(r)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpent-2-enoic Acid

    19. (r,e)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpent-2-enoicacid

    20. (r,e)-5-([1,1'-biphenyl]-4-yl)-4-(boc-amino)-2-methylpent-2-enoic Acid

    2.3 Create Date
    2012-03-26
    3 Chemical and Physical Properties
    Molecular Weight 381.5 g/mol
    Molecular Formula C23H27NO4
    XLogP34.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass381.19400834 g/mol
    Monoisotopic Mass381.19400834 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity549
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    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 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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          Sacubitril-Valsartan
          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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