CAS 1195768-19-4

Chemistry, 2 End Use API, 13 Related Intermediates

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Also known as: 1195768-19-4, Methyl 3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate, Methyl 3-((2,6-difluorophenyl)sulfonamido)-2-fluorobenzoate, Benzoic acid, 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluoro-, methyl ester, Schembl1127264, Dtxsid001139020

Molecular Formula

C₁₄H₁₀F₃NO₄S

Molecular Weight

345.30 g/mol

InChI Key

COSCWKICERLCEK-UHFFFAOYSA-N

1 2D Structure

CAS 1195768-19-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate

2.1.2 InChI

InChI=1S/C14H10F3NO4S/c1-22-14(19)8-4-2-7-11(12(8)17)18-23(20,21)13-9(15)5-3-6-10(13)16/h2-7,18H,1H3

2.1.3 InChI Key

COSCWKICERLCEK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1195768-19-4

2. Methyl 3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate

3. Methyl 3-((2,6-difluorophenyl)sulfonamido)-2-fluorobenzoate

4. Benzoic Acid, 3-[[(2,6-difluorophenyl)sulfonyl]amino]-2-fluoro-, Methyl Ester

5. Schembl1127264

6. Dtxsid001139020

7. Amy30053

8. Methyl 3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorobenzoate

9. Methyl 3-{[(2,6-difluoropheyl)sulfonyl]amino}-2-fluorabenzoate

10. Mfcd18447698

11. Zinc95912911

12. Akos024463628

13. Ds-9827

14. Cs-0150888

15. F11967

16. A892542

17. Methyl3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

18. Methyl 3-(2,6-difluorobenzenesulfonamido)-2-fluorobenzoate

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₀F₃NO₄S
Molecular Weight	345.30 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	345.02826346 g/mol
Monoisotopic Mass	345.02826346 g/mol
Topological Polar Surface Area	80.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	515
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

1195768-19-4

End Use API

Dabrafenib Mesylate

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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Shenzhen HwaGen Pharmaceutical

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Methyl 3-((2,6-difluorophenyl)sulfonamido)-2-fluorobenz...

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CAS Number

1195768-19-4

End Use API

Dabrafenib Mesylate

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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