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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 locat...
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Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
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Canagliflozin
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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2-(4-Fluorophenyl)-5-[(5-Iodo-2-Methylphenyl)Methyl]Thi...

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2-(4-Fluorophenyl)Thiophene

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Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is de...
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LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...
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LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...
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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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Canagliflozin
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with ...
We introduce ourselves as manufacturer of Active Pharmaceutical Ingredients (API) and intermediates with a professional approach that is aimed at finest results. We have etched a respectable place in the industry with proven expertise in manufacturing a wide spectrum of products. Vijayasri today is one of the prominent manufacturers of Active Pharmaceutical Ingredients (API) and intermediates. Our excellent Performance in Contract manufacturing over the years has also earned us the status of a trustable name in the pharmaceutical industry.
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