CAS 163521-09-3

Chemistry, 1 End Use API, 22 Related Intermediates

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Also known as: 163521-09-3, Ethyl 5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate dihydrochloride, Ethyl 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride, Bcp16956, Cs-m1364, Akos025401857

Molecular Formula

C₂₈H₃₂Cl₂N₄O₃

Molecular Weight

543.5 g/mol

InChI Key

IUIWYNHWHWFSDU-UHFFFAOYSA-N

1 2D Structure

CAS 163521-09-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride

2.1.2 InChI

InChI=1S/C28H30N4O3.2ClH/c1-2-34-28(33)27-17-22-16-23(7-9-26(22)35-27)32-13-11-31(12-14-32)10-4-3-5-21-19-30-25-8-6-20(18-29)15-24(21)25;;/h6-9,15-17,19,30H,2-5,10-14H2,1H3;2*1H

2.1.3 InChI Key

IUIWYNHWHWFSDU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 163521-09-3

2. Ethyl 5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate Dihydrochloride

3. Ethyl 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride

4. Bcp16956

5. Cs-m1364

6. Akos025401857

7. 2-benzofurancarboxylic Acid, 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]-1-piperazinyl]-, Ethyl Ester, Hydrochloride (1:2)

8. Ac-26404

9. Cs-13882

10. Db-085862

11. 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic Acid Ethyl Ester Hydrochloride

12. Ethyl 5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate 2hcl

13. Ethyl5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylatedihydrochloride

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₂Cl₂N₄O₃
Molecular Weight	543.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	542.1851463 g/mol
Monoisotopic Mass	542.1851463 g/mol
Topological Polar Surface Area	85.5 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	761
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	3

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CAS Number

163521-09-3

Intermediate Name

ethyl 5-(4-(4-(5-cyano- 1H-indol-3-...

About the Company

CRL’ is a nascent yet dynamically growing centre for metallurgical operation, Process synthesis, Resear...

CRL’ is a nascent yet dynamically growing centre for metallurgical operation, Process synthesis, Research & Development and Manufacturing hub. We form a part of the group company specializing in API sales and marketing and analytical services. At Cube Research Laboratories our array of activities includes Metal recovery, separation, Manufacturing of Intermediates, Synthesis of Impurities, Key raw materials, catalyst synthesis and Specialty chemicals. We offer intermediates and impurities from a standard list as well as custom synthesize them for our clients, maintaining confidentiality.

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