CAS 1194550-59-8

Chemistry, 2 End Use API, 12 Related Intermediates

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Also known as: 1194550-59-8, Benzyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate, L-phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1), Benzyl (2s)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride, Benzyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride, C17h20clno4s

Molecular Formula

C₁₇H₂₀ClNO₄S

Molecular Weight

369.9 g/mol

InChI Key

QMFDSGLDMSBMLX-NTISSMGPSA-N

FDA UNII

2CJM9X7KEU

1 2D Structure

CAS 1194550-59-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride

2.1.2 InChI

InChI=1S/C17H19NO4S.ClH/c1-23(20,21)15-9-5-8-14(10-15)11-16(18)17(19)22-12-13-6-3-2-4-7-13;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1

2.1.3 InChI Key

QMFDSGLDMSBMLX-NTISSMGPSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)N.Cl

2.1.5 Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N.Cl

2.2 Other Identifiers

2.2.1 UNII

2CJM9X7KEU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1194550-59-8

2. Benzyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate

3. L-phenylalanine, 3-(methylsulfonyl)-, Phenylmethyl Ester, Hydrochloride (1:1)

4. Benzyl (2s)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride

5. Benzyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hydrochloride

6. C17h20clno4s

7. Mfcd29919305

8. Benzyl (s)-2-amino-3-[3-(methylsulfonyl)phenyl]propanoate Hydrochloride

9. 2cjm9x7keu

10. Bcp16302

11. Akos027325417

12. Ds-11624

13. Hy-42938

14. Cs-0043623

15. F52939

16. A926924

17. Benzyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hcl

18. (s)-benzyl2-amino-3-(3-(methylsulfonyl)phenyl)propanoatehydrochloride

2.4 Create Date

2009-12-22

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀ClNO₄S
Molecular Weight	369.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	94.8
Heavy Atom Count	24
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Jinan Tantu Chemicals

Jinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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CAS Number

1194550-59-8

Intermediate Name

Benzyl (S)-2-amino-3-(3-(methylsulf...

About the Company

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.

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CAS Number

1194550-59-8

Intermediate Name

benzyl (2S)-2-amino-3-(3-methylsulf...

About the Company

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Cho...

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area of about 100 acres, a construction area of over 30,000 square meters, and a registered capital of 1.189 billion yuan. It is the first company in Changshou Economic and Technological Development Zone successfully listed on the Shenzhen GEM (March 22, 2011, stock code: 300194). The company has 9 wholly-owned and holding subsidiaries. In March 2008, Fuan Pharmaceutical Group Chongqing Lybon Pharm-Tech Co

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