![2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide structure](/static/products/384/384375-36-4.png)
2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
TL;DR: 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CAS 384375-36-4) is a chemical compound with molecular formula C20H18FN3O2S and molecular weight 383.11 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]-N-(4-fluorophenyl)acetamide
Also Known As: 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-(3-cyano-7,7-dimethyl-5-oxo(2-6,7,8-trihydroquinolylthio))-N-(4-fluorophenyl )acetamide, 2-((3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(4-fluorophenyl)acetamide
| Molecular Formula | C20H18FN3O2S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 3.97828 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11038 |
| Heavy Atoms | 27 |
| Complexity | 948.9346 |
Chemical Identifiers
| CAS Number | 384375-36-4 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)C#N)C(=O)C1)C |
Product Overview
2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CAS 384375-36-4), with molecular formula C20H18FN3O2S and molecular weight 383.11 g/mol. IUPAC: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Property Insights of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
The XLogP value of 3.97828 indicates that 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 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)sulfanyl]-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)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)sulfanyl]-N-(4-fluorophenyl)acetamide?
The CAS number of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is 384375-36-4.
What is the molecular formula of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is C20H18FN3O2S.
What is the molecular weight of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is 383.11 g/mol.
Where can I buy 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)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)sulfanyl]-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.