ChemDiv1_028653
TL;DR: ChemDiv1_028653 (CAS 369394-96-7) is a chemical compound with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_028653, AB00673468-01, AB00673468-02, N-(3-chlorophenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, AO-022/40937602
| Molecular Formula | C23H20ClN3O3S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 5.0424 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.0914 |
| Heavy Atoms | 31 |
| Complexity | 1158.8116 |
Chemical Identifiers
| CAS Number | 369394-96-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC(=CC=C4)Cl)C#N |
Product Overview
ChemDiv1_028653 (CAS 369394-96-7), with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_028653
Property Insights of ChemDiv1_028653
The XLogP value of 5.0424 indicates that ChemDiv1_028653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028653. Following Lipinski's Rule of Five, ChemDiv1_028653 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_028653?
The CAS number of ChemDiv1_028653 is 369394-96-7.
What is the molecular formula of ChemDiv1_028653?
The molecular formula of ChemDiv1_028653 is C23H20ClN3O3S.
What is the molecular weight of ChemDiv1_028653?
The molecular weight of ChemDiv1_028653 is 453.09 g/mol.
Where can I buy ChemDiv1_028653?
You can request a quote for ChemDiv1_028653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028653?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.