methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 369393-31-7) is a chemical compound with molecular formula C24H21Cl2N3O3S and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, methyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H21Cl2N3O3S |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 5.5427 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.06805 |
| Heavy Atoms | 33 |
| Complexity | 1217.6754 |
Chemical Identifiers
| CAS Number | 369393-31-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3Cl)C#N |
Product Overview
methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 369393-31-7), with molecular formula C24H21Cl2N3O3S and molecular weight 501.07 g/mol. IUPAC: methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.5427 indicates that methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate 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 methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is 369393-31-7.
What is the molecular formula of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is C24H21Cl2N3O3S.
What is the molecular weight of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is 501.07 g/mol.
Where can I buy methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-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 methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.