2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide
TL;DR: 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide (CAS 363620-82-0) is a chemical compound with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
Also Known As: 2-((3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide, AB00321638-03, 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide, 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide, F1109-0165
| Molecular Formula | C14H15N3O2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 1.68578 |
| Topological Polar Surface Area | 96.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0885 |
| Heavy Atoms | 20 |
| Complexity | 632.04156 |
Chemical Identifiers
| CAS Number | 363620-82-0 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=N2)SCC(=O)N)C#N)C(=O)C1)C |
Product Overview
2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide (CAS 363620-82-0), with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol. IUPAC: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide
Property Insights of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide
The XLogP value of 1.68578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide. The TPSA of 96.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide has 1 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-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide?
The CAS number of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide is 363620-82-0.
What is the molecular formula of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide?
The molecular formula of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide is C14H15N3O2S.
What is the molecular weight of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide?
The molecular weight of 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide is 289.09 g/mol.
Where can I buy 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide?
You can request a quote for 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)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-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.