2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide
TL;DR: 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide (CAS 370850-91-2) is a chemical compound with molecular formula C28H22ClN3O2S and molecular weight 499.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
Also Known As: 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide, 2-[[4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide, 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(naphthalen-2-yl)acetamide
| Molecular Formula | C28H22ClN3O2S |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | 6.29418 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.11212 |
| Heavy Atoms | 35 |
| Complexity | 1436.5829 |
Chemical Identifiers
| CAS Number | 370850-91-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C#N)C5=CC=C(C=C5)Cl)C(=O)C1 |
Product Overview
2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide (CAS 370850-91-2), with molecular formula C28H22ClN3O2S and molecular weight 499.11 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide.
Chemical Property Profile of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide
Property Insights of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide
The XLogP value of 6.29418 indicates that 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide?
The CAS number of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide is 370850-91-2.
What is the molecular formula of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide?
The molecular formula of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide is C28H22ClN3O2S.
What is the molecular weight of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide?
The molecular weight of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide is 499.11 g/mol.
Where can I buy 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide?
You can request a quote for 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(naphthalen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.