ChemDiv1_028561
TL;DR: ChemDiv1_028561 (CAS 369398-89-0) is a chemical compound with molecular formula C23H20ClN3O4S and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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_028561, methyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-5-cyano-2-oxo-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C23H20ClN3O4S |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 3.7581 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.0863 |
| Heavy Atoms | 32 |
| Complexity | 1142.0566 |
Chemical Identifiers
| CAS Number | 369398-89-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3Cl)C#N |
Product Overview
ChemDiv1_028561 (CAS 369398-89-0), with molecular formula C23H20ClN3O4S and molecular weight 469.09 g/mol. IUPAC: methyl 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_028561
Property Insights of ChemDiv1_028561
The XLogP value of 3.7581 indicates that ChemDiv1_028561 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_028561. Following Lipinski's Rule of Five, ChemDiv1_028561 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_028561?
The CAS number of ChemDiv1_028561 is 369398-89-0.
What is the molecular formula of ChemDiv1_028561?
The molecular formula of ChemDiv1_028561 is C23H20ClN3O4S.
What is the molecular weight of ChemDiv1_028561?
The molecular weight of ChemDiv1_028561 is 469.09 g/mol.
Where can I buy ChemDiv1_028561?
You can request a quote for ChemDiv1_028561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028561?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.