CAS 506427-91-4

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 506427-91-4, Chembl3085821, Chembl3085824, Tert-butyl n-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]carbamate, Tert-butyl ((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)carbamate, Schembl1318485

Molecular Formula

C₂₃H₃₅Cl₂N₃O₂

Molecular Weight

456.4 g/mol

InChI Key

LDQCWGIXZGDJNL-UHFFFAOYSA-N

1 2D Structure

CAS 506427-91-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]carbamate

2.1.2 InChI

InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)

2.1.3 InChI Key

LDQCWGIXZGDJNL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 506427-91-4

2. Chembl3085821

3. Chembl3085824

4. Tert-butyl N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]carbamate

5. Tert-butyl ((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)carbamate

6. Schembl1318485

7. Schembl4087769

8. Schembl18950680

9. Dtxsid901116938

10. Bdbm50443096

11. Bdbm50443099

12. Cs-0008601

13. Tert-butyl (cis-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)carbamate

14. Tert-butyl (trans-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)carbamate

15. 1,1-dimethylethyl N-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]carbamate

16. Tert-butyl((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)carbamate

2.3 Create Date

2010-11-01

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₅Cl₂N₃O₂
Molecular Weight	456.4 g/mol
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	455.2106328 g/mol
Monoisotopic Mass	455.2106328 g/mol
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	541
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

506427-91-4

Intermediate Name

Trans N-tert-butoxycarbonyl-4-[2-[4...

About the Company

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.

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