allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 497942-08-2) is a chemical compound with molecular formula C28H28ClN3O4S and molecular weight 537.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H28ClN3O4S |
|---|---|
| Molecular Weight | 537.15 g/mol |
| LogP | 5.8442 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 537.1489 |
| Heavy Atoms | 37 |
| Complexity | 1295.4958 |
Chemical Identifiers
| CAS Number | 497942-08-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C#N |
Product Overview
allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 497942-08-2), with molecular formula C28H28ClN3O4S and molecular weight 537.15 g/mol. IUPAC: prop-2-enyl 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.8442 indicates that allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-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 allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 497942-08-2.
What is the molecular formula of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is C28H28ClN3O4S.
What is the molecular weight of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 537.15 g/mol.
Where can I buy allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.