ChemDiv1_028747
TL;DR: ChemDiv1_028747 (CAS 370856-17-0) is a chemical compound with molecular formula C24H21Cl2N3O4S and molecular weight 517.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028747, ethyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ETHYL 6-({[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(2-CHLOROPHENYL)-5-CYANO-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, ethyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H21Cl2N3O4S |
|---|---|
| Molecular Weight | 517.06 g/mol |
| LogP | 4.8016 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.063 |
| Heavy Atoms | 34 |
| Complexity | 1208.9445 |
Chemical Identifiers
| CAS Number | 370856-17-0 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=C(C(=CC=C2)Cl)C)C#N)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_028747 (CAS 370856-17-0), with molecular formula C24H21Cl2N3O4S and molecular weight 517.06 g/mol. IUPAC: ethyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028747
Property Insights of ChemDiv1_028747
The XLogP value of 4.8016 indicates that ChemDiv1_028747 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_028747. Following Lipinski's Rule of Five, ChemDiv1_028747 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028747?
The CAS number of ChemDiv1_028747 is 370856-17-0.
What is the molecular formula of ChemDiv1_028747?
The molecular formula of ChemDiv1_028747 is C24H21Cl2N3O4S.
What is the molecular weight of ChemDiv1_028747?
The molecular weight of ChemDiv1_028747 is 517.06 g/mol.
Where can I buy ChemDiv1_028747?
You can request a quote for ChemDiv1_028747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028747?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.