ChemDiv2_003811
TL;DR: ChemDiv2_003811 (CAS 360563-07-1) is a chemical compound with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv2_003811, IDI1_002526, A2473/0105032, 2-{[4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, 2-((4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide
| Molecular Formula | C18H16ClN3O2S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.98758 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0652 |
| Heavy Atoms | 25 |
| Complexity | 854.1223 |
Chemical Identifiers
| CAS Number | 360563-07-1 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC=CC=C3Cl)C(=O)C1 |
Product Overview
ChemDiv2_003811 (CAS 360563-07-1), with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol. IUPAC: 2-[[4-(2-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv2_003811
Property Insights of ChemDiv2_003811
The XLogP value of 2.98758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003811. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003811. Following Lipinski's Rule of Five, ChemDiv2_003811 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 ChemDiv2_003811?
The CAS number of ChemDiv2_003811 is 360563-07-1.
What is the molecular formula of ChemDiv2_003811?
The molecular formula of ChemDiv2_003811 is C18H16ClN3O2S.
What is the molecular weight of ChemDiv2_003811?
The molecular weight of ChemDiv2_003811 is 373.07 g/mol.
Where can I buy ChemDiv2_003811?
You can request a quote for ChemDiv2_003811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003811?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.