ChemDiv1_009426
TL;DR: ChemDiv1_009426 (CAS 370855-20-2) is a chemical compound with molecular formula C24H20ClN3O5S and molecular weight 497.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_009426, F1155-0003, methyl 6-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-((2-((3-acetylphenyl)amino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-({2-[(3-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H20ClN3O5S |
|---|---|
| Molecular Weight | 497.08 g/mol |
| LogP | 3.65228 |
| Topological Polar Surface Area | 125.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.0812 |
| Heavy Atoms | 34 |
| Complexity | 1219.8594 |
Chemical Identifiers
| CAS Number | 370855-20-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)Cl)C#N |
Product Overview
ChemDiv1_009426 (CAS 370855-20-2), with molecular formula C24H20ClN3O5S and molecular weight 497.08 g/mol. IUPAC: methyl 6-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_009426
Property Insights of ChemDiv1_009426
The XLogP value of 3.65228 indicates that ChemDiv1_009426 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009426. Following Lipinski's Rule of Five, ChemDiv1_009426 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_009426?
The CAS number of ChemDiv1_009426 is 370855-20-2.
What is the molecular formula of ChemDiv1_009426?
The molecular formula of ChemDiv1_009426 is C24H20ClN3O5S.
What is the molecular weight of ChemDiv1_009426?
The molecular weight of ChemDiv1_009426 is 497.08 g/mol.
Where can I buy ChemDiv1_009426?
You can request a quote for ChemDiv1_009426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009426?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.