CAS 1428243-26-8

Chemistry, 3 End Use API, 17 Related Intermediates

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Also known as: 1428243-26-8, (3r,4s)-benzyl 3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate, (3r,4s)-3-(2-bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester, Schembl14791217, Amy16540, Mfcd30802183

Molecular Formula

C₁₆H₂₀BrNO₃

Molecular Weight

354.24 g/mol

InChI Key

QEFUCTKHMXMWRF-KGLIPLIRSA-N

1 2D Structure

CAS 1428243-26-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl (3R,4S)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C16H20BrNO3/c1-2-13-9-18(10-14(13)15(19)8-17)16(20)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m1/s1

2.1.3 InChI Key

QEFUCTKHMXMWRF-KGLIPLIRSA-N

2.1.4 Canonical SMILES

CCC1CN(CC1C(=O)CBr)C(=O)OCC2=CC=CC=C2

2.1.5 Isomeric SMILES

CC[C@@H]1CN(C[C@@H]1C(=O)CBr)C(=O)OCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1428243-26-8

2. (3r,4s)-benzyl 3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate

3. (3r,4s)-3-(2-bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic Acid Phenylmethyl Ester

4. Schembl14791217

5. Amy16540

6. Mfcd30802183

7. Zinc219520708

8. Ac-31352

9. Cs-0184957

10. P17964

11. Benzyl(3r,4s)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate

2.3 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀BrNO₃
Molecular Weight	354.24 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	353.06266 g/mol
Monoisotopic Mass	353.06266 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	369
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Shandong Chenghui Shuangda Pharmace...

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CAS Number

1428243-26-8

End Use API

Upadacitinib

About the Company

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.

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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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1428243-26-8

End Use API

Upadacitinib

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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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Suzhou Biosyntech

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CAS Number

1428243-26-8

End Use API

Upadacitinib

About the Company

Suzhou Biosyntech is an R&D driven supplier for the Pharma market, the major business is on API and inter...

Suzhou Biosyntech is an R&D driven supplier for the Pharma market, the major business is on API and intermediates. Biosyntech has the ability to provide service from R&D development to commercial launch.

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