ChemDiv1_028661
TL;DR: ChemDiv1_028661 (CAS 370855-46-2) is a chemical compound with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_028661, CBKinase1_001543, CBKinase1_013943, N-(3-acetylphenyl)-2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, AO-022/40937978
| Molecular Formula | C27H25N3O3S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 4.9986 |
| Topological Polar Surface Area | 99.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.16165 |
| Heavy Atoms | 34 |
| Complexity | 1286.0206 |
Chemical Identifiers
| CAS Number | 370855-46-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC(=C4)C(=O)C)C#N |
Product Overview
ChemDiv1_028661 (CAS 370855-46-2), with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol. IUPAC: N-(3-acetylphenyl)-2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_028661
Property Insights of ChemDiv1_028661
The XLogP value of 4.9986 indicates that ChemDiv1_028661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028661. Following Lipinski's Rule of Five, ChemDiv1_028661 has 2 hydrogen bond donor(s) and 6 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_028661?
The CAS number of ChemDiv1_028661 is 370855-46-2.
What is the molecular formula of ChemDiv1_028661?
The molecular formula of ChemDiv1_028661 is C27H25N3O3S.
What is the molecular weight of ChemDiv1_028661?
The molecular weight of ChemDiv1_028661 is 471.16 g/mol.
Where can I buy ChemDiv1_028661?
You can request a quote for ChemDiv1_028661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028661?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.