Dalian Richon Chem

CAS 1307233-94-8

Chemistry, 1 End Use API, 96 Related Intermediates

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Also known as: 1307233-94-8, Ethyl 3-[[2-(chloromethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate, Ec 936-788-6, Schembl6848023, Dtxsid60680640, Mfcd23135630

Molecular Formula

C₂₀H₂₁ClN₄O₃

Molecular Weight

400.9 g/mol

InChI Key

ATDFBDBECQOWSX-UHFFFAOYSA-N

1 2D Structure

CAS 1307233-94-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-[[2-(chloromethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

2.1.2 InChI

InChI=1S/C20H21ClN4O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3

2.1.3 InChI Key

ATDFBDBECQOWSX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCl)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1307233-94-8

2. Ethyl 3-[[2-(chloromethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

3. Ec 936-788-6

4. Schembl6848023

5. Dtxsid60680640

6. Mfcd23135630

7. Zinc85224182

8. Akos016006788

9. Ethyl N-[2-(chloromethyl)-1-methyl-1h-benzimidazole-5-carbonyl]-n-pyridin-2-yl-beta-alaninate

10. 3-((2-chloromethyl-1-methyl-1h-benzimidazole-5-carbonyl)-pyridine-2-yl-amino)-propionic Acid Ethyl Ester

11. As-10349

12. Db-129858

13. Cs-0361472

14. Ft-0697536

15. A854921

16. Beta-alanine, N-[[2-(chloromethyl)-1-methyl-1h-benzimidazol-5-yl]carbonyl]-n-2-pyridinyl-, Ethyl Ester

2.3 Create Date

2011-06-13

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₁ClN₄O₃
Molecular Weight	400.9 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	77.3
Heavy Atom Count	28
Formal Charge	0
Complexity	550
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

211915-84-3

End Use API

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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