2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 488097-03-6) is a chemical compound with molecular formula C17H20N2OS and molecular weight 300.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(butylsulfanyl)-6-hydroxy-4-(4-methylphenyl)-4,5-dihydropyridine-3-carbonitrile, 2-(butylthio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-butylsulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C17H20N2OS |
|---|---|
| Molecular Weight | 300.13 g/mol |
| LogP | 3.867 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.12964 |
| Heavy Atoms | 21 |
| Complexity | 583.8028 |
Chemical Identifiers
| CAS Number | 488097-03-6 |
|---|---|
| SMILES | CCCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C)C#N |
Product Overview
2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 488097-03-6), with molecular formula C17H20N2OS and molecular weight 300.13 g/mol. IUPAC: 6-butylsulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 3.867 indicates that 2-(butylsulfanyl)-4-(4-methylphenyl)-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, 2-(butylsulfanyl)-4-(4-methylphenyl)-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, 2-(butylsulfanyl)-4-(4-methylphenyl)-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 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 488097-03-6.
What is the molecular formula of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is C17H20N2OS.
What is the molecular weight of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 300.13 g/mol.
Where can I buy 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 2-(butylsulfanyl)-4-(4-methylphenyl)-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 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.