methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 488716-70-7) is a chemical compound with molecular formula C22H19ClN2O3S and molecular weight 426.08 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-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, METHYL 6-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-5-CYANO-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C22H19ClN2O3S |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 4.3196 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0805 |
| Heavy Atoms | 29 |
| Complexity | 994.2126 |
Chemical Identifiers
| CAS Number | 488716-70-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C(=O)OC |
Product Overview
methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 488716-70-7), with molecular formula C22H19ClN2O3S and molecular weight 426.08 g/mol. IUPAC: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 4.3196 indicates that methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-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 methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is 488716-70-7.
What is the molecular formula of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is C22H19ClN2O3S.
What is the molecular weight of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is 426.08 g/mol.
Where can I buy methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-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-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-((4-chlorobenzyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.