methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369393-27-1) is a chemical compound with molecular formula C26H25N3O6S and molecular weight 507.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate, methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C26H25N3O6S |
|---|---|
| Molecular Weight | 507.15 g/mol |
| LogP | 3.39758 |
| Topological Polar Surface Area | 134.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.1464 |
| Heavy Atoms | 36 |
| Complexity | 1249.071 |
Chemical Identifiers
| CAS Number | 369393-27-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C(=O)OC |
Product Overview
methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369393-27-1), with molecular formula C26H25N3O6S and molecular weight 507.15 g/mol. IUPAC: methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 3.39758 indicates that methyl 6-((2-((4-acetylphenyl)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 134.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-((2-((4-acetylphenyl)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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 369393-27-1.
What is the molecular formula of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is C26H25N3O6S.
What is the molecular weight of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 507.15 g/mol.
Where can I buy methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for methyl 6-((2-((4-acetylphenyl)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 methyl 6-((2-((4-acetylphenyl)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 methyl 6-((2-((4-acetylphenyl)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.