ChemDiv1_028565
TL;DR: ChemDiv1_028565 (CAS 369398-79-8) is a chemical compound with molecular formula C24H22ClN3O4S and molecular weight 483.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028565, Ethyl 4-(2-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-oxo-3-pyridinecarboxylate, ethyl 4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate, ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, Ethyl 4-(2-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-((2-((2-methylphenyl)amino)-2-oxoethyl)thio)-2-oxo-3-pyridinecarboxylate
| Molecular Formula | C24H22ClN3O4S |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | 4.1482 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.10196 |
| Heavy Atoms | 33 |
| Complexity | 1158.3934 |
Chemical Identifiers
| CAS Number | 369398-79-8 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2C)C#N)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_028565 (CAS 369398-79-8), with molecular formula C24H22ClN3O4S and molecular weight 483.10 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028565
Property Insights of ChemDiv1_028565
The XLogP value of 4.1482 indicates that ChemDiv1_028565 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028565. Following Lipinski's Rule of Five, ChemDiv1_028565 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_028565?
The CAS number of ChemDiv1_028565 is 369398-79-8.
What is the molecular formula of ChemDiv1_028565?
The molecular formula of ChemDiv1_028565 is C24H22ClN3O4S.
What is the molecular weight of ChemDiv1_028565?
The molecular weight of ChemDiv1_028565 is 483.10 g/mol.
Where can I buy ChemDiv1_028565?
You can request a quote for ChemDiv1_028565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028565?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.