ChemDiv3_004634
TL;DR: ChemDiv3_004634 (CAS 684237-79-4) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 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-(3-methylphenyl)acetamide
Also Known As: ChemDiv3_004634, IDI1_022544, BAS 05594514, AB00674104-01, BRD-K95632464-001-01-8
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.1476 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 960.38446 |
Chemical Identifiers
| CAS Number | 684237-79-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CC(C3)(C)C |
Product Overview
ChemDiv3_004634 (CAS 684237-79-4), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv3_004634
Property Insights of ChemDiv3_004634
The XLogP value of 4.1476 indicates that ChemDiv3_004634 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 ChemDiv3_004634. Following Lipinski's Rule of Five, ChemDiv3_004634 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 ChemDiv3_004634?
The CAS number of ChemDiv3_004634 is 684237-79-4.
What is the molecular formula of ChemDiv3_004634?
The molecular formula of ChemDiv3_004634 is C21H21N3O2S.
What is the molecular weight of ChemDiv3_004634?
The molecular weight of ChemDiv3_004634 is 379.14 g/mol.
Where can I buy ChemDiv3_004634?
You can request a quote for ChemDiv3_004634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004634?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.