Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate
TL;DR: Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate (CAS 370852-48-5) is a chemical compound with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate, isopropyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylate, propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C18H19ClN2O2S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.35058 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.08557 |
| Heavy Atoms | 24 |
| Complexity | 745.2774 |
Chemical Identifiers
| CAS Number | 370852-48-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)C |
Product Overview
Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate (CAS 370852-48-5), with molecular formula C18H19ClN2O2S and molecular weight 362.09 g/mol. IUPAC: propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate
Property Insights of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.35058 indicates that Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-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 Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate is 370852-48-5.
What is the molecular formula of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate is C18H19ClN2O2S.
What is the molecular weight of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate is 362.09 g/mol.
Where can I buy Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-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 Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.