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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

CAS 1428243-26-8
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 Weight 354.24 g/mol
Molecular Formula C16H20BrNO3
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass353.06266 g/mol
Monoisotopic Mass353.06266 g/mol
Topological Polar Surface Area46.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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01

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Virtual BoothChina’s top API & intermediate manufacturer, delivering advanced CMO/CDMO solutions to 60+ countries, empowering global health progress

(3R,4S)-3-(2-Bromoacetyl)-4- ethyl-1-pyrrolidineca...

CAS Number : 1428243-26-8

End Use API :

About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. specializes in API and advanced intermediate R&D and manufacturing, delivering comprehensive CDMO/CRO/OEM services and Finished Formu...

Shandong Chenghui Shuangda Pharmaceutical

02

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Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

(3R,4S)-3-(2-Bromoacetyl)-4-eth yl-1-pyrrolidineca...

CAS Number : 1428243-26-8

End Use API :

About the Company : Shanghai Minbiotech is specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nant...

Shanghai Minbiotech CB

03

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecar...

CAS Number : 1428243-26-8

End Use API :

About the Company : Shanghai Minbiotech is specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nant...

Shanghai Minbiotech CB

04

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothSaiming Pharmaceutical – Delivering innovative, sustainable chemical solutions with global reach and 12+ years of trusted excellence.

(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecar...

CAS Number : 1428243-26-8

End Use API :

About the Company : Saiming Pharmaceutical is a technology-driven company with 12+ years of experience. Our business involves the R&D, production, and trading of pharmaceutical intermediates, APIs, and fin...

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(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecar...

CAS Number : 1428243-26-8

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About the Company : Guangzhou AANpharm Technology is a science-driven producer of key starting materials, pharmaceutical intermediates and specialty chemicals for CDMOs, API manufacturers and biotech innov...

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benzyl (3R,4S)-3-(2-bromoacetyl)-4-ethylpyrrolidin...

CAS Number : CAS-1428243-26-8

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About the Company : Hebi Xinhe Pharmaceutical Co., Ltd. is a subsidiary of Tianjin Zhennuo Pharmaceutical Group Co., Ltd., with a registered capital of CNY 100 million. Located in Jijiashan Industrial Park...

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(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecar...

CAS Number : 1428243-26-8

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About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

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(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecar...

CAS Number : 1428243-26-8

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About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrro lidinec...

CAS Number : 1428243-26-8

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About the Company : 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 ...

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