2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide
TL;DR: 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide (CAS 488805-03-4) is a chemical compound with molecular formula C26H23Cl2N3O2S and molecular weight 511.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide, 2-[[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide, 2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
| Molecular Formula | C26H23Cl2N3O2S |
|---|---|
| Molecular Weight | 511.09 g/mol |
| LogP | 6.35678 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.0888 |
| Heavy Atoms | 34 |
| Complexity | 1262.9323 |
Chemical Identifiers
| CAS Number | 488805-03-4 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=C(C(=CC=C4)Cl)Cl)C#N |
Product Overview
2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide (CAS 488805-03-4), with molecular formula C26H23Cl2N3O2S and molecular weight 511.09 g/mol. IUPAC: 2-[[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide
Property Insights of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide
The XLogP value of 6.35678 indicates that 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)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-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)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-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide?
The CAS number of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide is 488805-03-4.
What is the molecular formula of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide?
The molecular formula of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide is C26H23Cl2N3O2S.
What is the molecular weight of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide?
The molecular weight of 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide is 511.09 g/mol.
Where can I buy 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide?
You can request a quote for 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.