![2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide structure](/static/products/6404/6404-79-1.webp)
2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide
TL;DR: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide (CAS 6404-79-1) is a chemical compound with molecular formula C21H23ClN4OS and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
Also Known As: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide, 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-chloropyridin-3-yl)acetamide
| Molecular Formula | C21H23ClN4OS |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.88348 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1281 |
| Heavy Atoms | 28 |
| Complexity | 932.97845 |
Chemical Identifiers
| CAS Number | 6404-79-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=NC(=C(C=C2C1)C#N)SCC(=O)NC3=C(N=CC=C3)Cl |
Product Overview
2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide (CAS 6404-79-1), with molecular formula C21H23ClN4OS and molecular weight 414.13 g/mol. IUPAC: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.
Chemical Property Profile of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide
Property Insights of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide
The XLogP value of 4.88348 indicates that 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide. Following Lipinski's Rule of Five, 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)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-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide?
The CAS number of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide is 6404-79-1.
What is the molecular formula of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide?
The molecular formula of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide is C21H23ClN4OS.
What is the molecular weight of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide?
The molecular weight of 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide is 414.13 g/mol.
Where can I buy 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide?
You can request a quote for 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.