N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
TL;DR: N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide (CAS 796876-64-7) is a chemical compound with molecular formula C27H26ClN3O3S and molecular weight 507.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide
Also Known As: N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-{[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C27H26ClN3O3S |
|---|---|
| Molecular Weight | 507.14 g/mol |
| LogP | 5.78568 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.13834 |
| Heavy Atoms | 35 |
| Complexity | 1275.3218 |
Chemical Identifiers
| CAS Number | 796876-64-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC=C3)Cl)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C |
Product Overview
N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide (CAS 796876-64-7), with molecular formula C27H26ClN3O3S and molecular weight 507.14 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
Property Insights of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
The XLogP value of 5.78568 indicates that N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
The CAS number of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is 796876-64-7.
What is the molecular formula of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
The molecular formula of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is C27H26ClN3O3S.
What is the molecular weight of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
The molecular weight of N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is 507.14 g/mol.
Where can I buy N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
You can request a quote for N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.