ChemDiv3_002962
TL;DR: ChemDiv3_002962 (CAS 369395-75-5) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: ChemDiv3_002962, 2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(m-tolyl)acetamide, 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide, BRD-A82299738-001-01-3, F1155-0403
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.389 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1093.1466 |
Chemical Identifiers
| CAS Number | 369395-75-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N |
Product Overview
ChemDiv3_002962 (CAS 369395-75-5), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv3_002962
Property Insights of ChemDiv3_002962
The XLogP value of 4.389 indicates that ChemDiv3_002962 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 ChemDiv3_002962. Following Lipinski's Rule of Five, ChemDiv3_002962 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 ChemDiv3_002962?
The CAS number of ChemDiv3_002962 is 369395-75-5.
What is the molecular formula of ChemDiv3_002962?
The molecular formula of ChemDiv3_002962 is C23H21N3O3S.
What is the molecular weight of ChemDiv3_002962?
The molecular weight of ChemDiv3_002962 is 419.13 g/mol.
Where can I buy ChemDiv3_002962?
You can request a quote for ChemDiv3_002962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002962?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.