ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 489425-92-5) is a chemical compound with molecular formula C26H26ClN3O5S and molecular weight 527.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate, ethyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C26H26ClN3O5S |
|---|---|
| Molecular Weight | 527.13 g/mol |
| LogP | 4.5469 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.1282 |
| Heavy Atoms | 36 |
| Complexity | 1240.3257 |
Chemical Identifiers
| CAS Number | 489425-92-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC |
Product Overview
ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 489425-92-5), with molecular formula C26H26ClN3O5S and molecular weight 527.13 g/mol. IUPAC: ethyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 4.5469 indicates that ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 489425-92-5.
What is the molecular formula of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is C26H26ClN3O5S.
What is the molecular weight of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 527.13 g/mol.
Where can I buy ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.