2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 327168-80-9) is a chemical compound with molecular formula C19H15ClN2OS and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C19H15ClN2OS |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.61208 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.05936 |
| Heavy Atoms | 24 |
| Complexity | 809.5105 |
Chemical Identifiers
| CAS Number | 327168-80-9 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3 |
Product Overview
2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 327168-80-9), with molecular formula C19H15ClN2OS and molecular weight 354.06 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 4.61208 indicates that 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-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-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-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-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile is 327168-80-9.
What is the molecular formula of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile is C19H15ClN2OS.
What is the molecular weight of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile is 354.06 g/mol.
Where can I buy 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-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-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-chlorobenzyl)thio)-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.