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CAS 1428243-26-8 manufacturers and suppliers on PharmaCompass

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CAS 1428243-26-8
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 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
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875781-41-2
Upadacitinib
We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
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-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
Shandong Boyuan Pharmaceutical

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1201186-54-0
Upadacitinib
We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
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-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
Shandong Boyuan Pharmaceutical

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envelop Contact Supplier
Flag China
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1869118-24-0
Upadacitinib
We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
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-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
Shandong Boyuan Pharmaceutical

BIO Asia-Taiwan

Not Confirmed

envelop Contact Supplier
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