2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
TL;DR: 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 799780-40-8) is a chemical compound with molecular formula C28H28ClN3O4S and molecular weight 537.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
Also Known As: 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide, 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide, 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide, 2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
| Molecular Formula | C28H28ClN3O4S |
|---|---|
| Molecular Weight | 537.15 g/mol |
| LogP | 5.79428 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.1489 |
| Heavy Atoms | 37 |
| Complexity | 1342.1863 |
Chemical Identifiers
| CAS Number | 799780-40-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=C(C=C(C=C3)OC)OC)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C |
Product Overview
2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 799780-40-8), with molecular formula C28H28ClN3O4S and molecular weight 537.15 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
Property Insights of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
The XLogP value of 5.79428 indicates that 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)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 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
The CAS number of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is 799780-40-8.
What is the molecular formula of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
The molecular formula of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is C28H28ClN3O4S.
What is the molecular weight of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
The molecular weight of 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is 537.15 g/mol.
Where can I buy 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
You can request a quote for 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)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-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.