ChemDiv1_009304
TL;DR: ChemDiv1_009304 (CAS 369395-67-5) is a chemical compound with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_009304, N-(3-chlorophenyl)-2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H18ClN3O2S2 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 5.20248 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0529 |
| Heavy Atoms | 30 |
| Complexity | 1099.8359 |
Chemical Identifiers
| CAS Number | 369395-67-5 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC=C3)Cl)C#N)C4=CC=CS4)C(=O)C1 |
Product Overview
ChemDiv1_009304 (CAS 369395-67-5), with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_009304
Property Insights of ChemDiv1_009304
The XLogP value of 5.20248 indicates that ChemDiv1_009304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009304. Following Lipinski's Rule of Five, ChemDiv1_009304 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009304?
The CAS number of ChemDiv1_009304 is 369395-67-5.
What is the molecular formula of ChemDiv1_009304?
The molecular formula of ChemDiv1_009304 is C22H18ClN3O2S2.
What is the molecular weight of ChemDiv1_009304?
The molecular weight of ChemDiv1_009304 is 455.05 g/mol.
Where can I buy ChemDiv1_009304?
You can request a quote for ChemDiv1_009304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009304?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.