ChemDiv1_028571
TL;DR: ChemDiv1_028571 (CAS 369394-76-3) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-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_028571, N-(4-acetylphenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, N-(4-acetylphenyl)-2-((3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(4-acetylphenyl)-2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide, N-(4-acetylphenyl)-2-{[3-cyano-5-hydroxy-4-(5-methylfuran-2-yl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 4.5916 |
| Topological Polar Surface Area | 112.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1231.0885 |
Chemical Identifiers
| CAS Number | 369394-76-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)C(=O)C)C#N |
Product Overview
ChemDiv1_028571 (CAS 369394-76-3), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: N-(4-acetylphenyl)-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_028571
Property Insights of ChemDiv1_028571
The XLogP value of 4.5916 indicates that ChemDiv1_028571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028571. Following Lipinski's Rule of Five, ChemDiv1_028571 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_028571?
The CAS number of ChemDiv1_028571 is 369394-76-3.
What is the molecular formula of ChemDiv1_028571?
The molecular formula of ChemDiv1_028571 is C25H23N3O4S.
What is the molecular weight of ChemDiv1_028571?
The molecular weight of ChemDiv1_028571 is 461.14 g/mol.
Where can I buy ChemDiv1_028571?
You can request a quote for ChemDiv1_028571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028571?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.