2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide
TL;DR: 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide (CAS 201424-81-9) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetamide
Also Known As: 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide, 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]-2-phenylacetamide, 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetamide
| Molecular Formula | C22H25N3O2S |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 3.95398 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.16675 |
| Heavy Atoms | 28 |
| Complexity | 909.4596 |
Chemical Identifiers
| CAS Number | 201424-81-9 |
|---|---|
| SMILES | CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC(C3=CC=CC=C3)C(=O)N)C#N |
Product Overview
2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide (CAS 201424-81-9), with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol. IUPAC: 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetamide.
Chemical Property Profile of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide
Property Insights of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide
The XLogP value of 3.95398 indicates that 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide. Following Lipinski's Rule of Five, 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide 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-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide?
The CAS number of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide is 201424-81-9.
What is the molecular formula of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide?
The molecular formula of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide is C22H25N3O2S.
What is the molecular weight of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide?
The molecular weight of 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide is 395.17 g/mol.
Where can I buy 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide?
You can request a quote for 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide 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-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-2-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.