2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide
TL;DR: 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide (CAS 380461-84-7) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 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-cyclopropylacetamide
Also Known As: 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide, 2-[[4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-cyclopropylacetamide, 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-cyclopropylacetamide
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.78088 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 925.96423 |
Chemical Identifiers
| CAS Number | 380461-84-7 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3CC3)C#N)C4=CC=C(C=C4)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-cyclopropylacetamide (CAS 380461-84-7), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-cyclopropylacetamide.
Chemical Property Profile of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide
Property Insights of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide
The XLogP value of 3.78088 indicates that 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide 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-cyclopropylacetamide. 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-cyclopropylacetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-cyclopropylacetamide?
The CAS number of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide is 380461-84-7.
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-cyclopropylacetamide?
The molecular formula of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide is C21H20ClN3O2S.
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-cyclopropylacetamide?
The molecular weight of 2-((4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-cyclopropylacetamide is 413.10 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-cyclopropylacetamide?
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-cyclopropylacetamide 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-cyclopropylacetamide?
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-cyclopropylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.