CAS 851785-21-2

Chemistry, 3 End Use API, 11 Related Intermediates

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Also known as: 851785-21-2, Methyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride, Methyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hcl, Methyl (2s)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride, Amy3356, Bcp16303

Molecular Formula

C₁₁H₁₆ClNO₄S

Molecular Weight

293.77 g/mol

InChI Key

VUUYKOLKOIYVCR-PPHPATTJSA-N

1 2D Structure

CAS 851785-21-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m0./s1

2.1.3 InChI Key

VUUYKOLKOIYVCR-PPHPATTJSA-N

2.1.4 Canonical SMILES

COC(=O)C(CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl

2.1.5 Isomeric SMILES

COC(=O)[C@H](CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 851785-21-2

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

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

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

5. Amy3356

6. Bcp16303

7. Mfcd29037384

8. Akos025395815

9. Ds-8216

10. Ac-30967

11. Cs-0044149

12. F52940

13. (s)-methyl2-amino-3-(3-(methylsulfonyl)phenyl)propanoatehydrochloride

14. Methyl(s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hydrochloride

15. (s)-methyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hydrochloride (h-l-phe(3-so2me)-ome.hcl)

2.3 Create Date

2015-10-12

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆ClNO₄S
Molecular Weight	293.77 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	293.0488569 g/mol
Monoisotopic Mass	293.0488569 g/mol
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	360
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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CAS Number

851785-21-2

Intermediate Name

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

About the Company

Epoch-Labs is a Hyderabad, India based Research Organization that gives science administrations to expans...

Epoch-Labs is a Hyderabad, India based Research Organization that gives science administrations to expansive pharmaceutical organization, agrochemical organizations crosswise over globe to quicken their R&D programs from revelation to creation. As an exploration driven and client centered organization, Epoch-Labs administrations are intended to abbreviate the revelation and improvement time through financially savvy and productive outsourcing answers for our clients.

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CAS Number

851785-21-2

Intermediate Name

methyl (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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Prajna Generics

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851785-21-2

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

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Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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