allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 796878-86-9) is a chemical compound with molecular formula C26H23ClN2O4S and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(2-chlorophenyl)-5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 4-(2-chlorophenyl)-5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H23ClN2O4S |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 5.38988 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.10672 |
| Heavy Atoms | 34 |
| Complexity | 1212.0516 |
Chemical Identifiers
| CAS Number | 796878-86-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CC=C3Cl)C(=O)OCC=C |
Product Overview
allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 796878-86-9), with molecular formula C26H23ClN2O4S and molecular weight 494.11 g/mol. IUPAC: prop-2-enyl 4-(2-chlorophenyl)-5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.38988 indicates that allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate has 1 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 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 796878-86-9.
What is the molecular formula of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is C26H23ClN2O4S.
What is the molecular weight of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 494.11 g/mol.
Where can I buy allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-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 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 4-(2-chlorophenyl)-5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.