N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
TL;DR: N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide (CAS 799809-03-3) is a chemical compound with molecular formula C29H22ClN3O4S and molecular weight 543.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide, N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide, N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C29H22ClN3O4S |
|---|---|
| Molecular Weight | 543.10 g/mol |
| LogP | 5.96498 |
| Topological Polar Surface Area | 112.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.1019 |
| Heavy Atoms | 38 |
| Complexity | 1520.8497 |
Chemical Identifiers
| CAS Number | 799809-03-3 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C#N)C5=CC=CO5)C(=O)C1 |
Product Overview
N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide (CAS 799809-03-3), with molecular formula C29H22ClN3O4S and molecular weight 543.10 g/mol. IUPAC: N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
Property Insights of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
The XLogP value of 5.96498 indicates that N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-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 112.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
The CAS number of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is 799809-03-3.
What is the molecular formula of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
The molecular formula of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is C29H22ClN3O4S.
What is the molecular weight of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
The molecular weight of N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide is 543.10 g/mol.
Where can I buy N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
You can request a quote for N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-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-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-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.