methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
TL;DR: methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 330181-11-8) is a chemical compound with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, methyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate, methyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, methyl 6-[(4-chlorophenyl)methylthio]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihyd ropyridine-3-carboxylate
| Molecular Formula | C20H17ClN2O2S2 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 5.20388 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.042 |
| Heavy Atoms | 27 |
| Complexity | 941.3614 |
Chemical Identifiers
| CAS Number | 330181-11-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CS3)C(=O)OC |
Product Overview
methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 330181-11-8), with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol. IUPAC: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Property Insights of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.20388 indicates that methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate has 1 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-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The CAS number of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is 330181-11-8.
What is the molecular formula of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is C20H17ClN2O2S2.
What is the molecular weight of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is 416.04 g/mol.
Where can I buy methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-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-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.