2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 369394-12-7) is a chemical compound with molecular formula C20H17ClN2OS and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-[(2-chlorobenzyl)sulfanyl]-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-[(2-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C20H17ClN2OS |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 4.9205 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.075 |
| Heavy Atoms | 25 |
| Complexity | 868.0101 |
Chemical Identifiers
| CAS Number | 369394-12-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl |
Product Overview
2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 369394-12-7), with molecular formula C20H17ClN2OS and molecular weight 368.07 g/mol. IUPAC: 6-[(2-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 4.9205 indicates that 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is 369394-12-7.
What is the molecular formula of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is C20H17ClN2OS.
What is the molecular weight of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is 368.07 g/mol.
Where can I buy 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chlorobenzyl)thio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.