4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 375364-41-3) is a chemical compound with molecular formula C18H21ClN2OS and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 4-(3-chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, F0422-0226, 4-(3-chlorophenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(3-chlorophenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C18H21ClN2OS |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 4.99218 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.10632 |
| Heavy Atoms | 23 |
| Complexity | 636.15393 |
Chemical Identifiers
| CAS Number | 375364-41-3 |
|---|---|
| SMILES | CCCCCCSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)Cl)C#N |
Product Overview
4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 375364-41-3), with molecular formula C18H21ClN2OS and molecular weight 348.11 g/mol. IUPAC: 4-(3-chlorophenyl)-6-hexylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 4.99218 indicates that 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-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, 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-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 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 375364-41-3.
What is the molecular formula of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is C18H21ClN2OS.
What is the molecular weight of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 348.11 g/mol.
Where can I buy 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-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 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chlorophenyl)-2-(hexylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.