ChemDiv1_028649
TL;DR: ChemDiv1_028649 (CAS 370855-54-2) is a chemical compound with molecular formula C22H17Cl2N3O4S and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028649, F1155-0151, methyl 4-(2-chlorophenyl)-6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(2-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H17Cl2N3O4S |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 4.10308 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.03168 |
| Heavy Atoms | 32 |
| Complexity | 1145.991 |
Chemical Identifiers
| CAS Number | 370855-54-2 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_028649 (CAS 370855-54-2), with molecular formula C22H17Cl2N3O4S and molecular weight 489.03 g/mol. IUPAC: methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028649
Property Insights of ChemDiv1_028649
The XLogP value of 4.10308 indicates that ChemDiv1_028649 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_028649. Following Lipinski's Rule of Five, ChemDiv1_028649 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_028649?
The CAS number of ChemDiv1_028649 is 370855-54-2.
What is the molecular formula of ChemDiv1_028649?
The molecular formula of ChemDiv1_028649 is C22H17Cl2N3O4S.
What is the molecular weight of ChemDiv1_028649?
The molecular weight of ChemDiv1_028649 is 489.03 g/mol.
Where can I buy ChemDiv1_028649?
You can request a quote for ChemDiv1_028649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028649?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.