6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
TL;DR: 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 488122-42-5) is a chemical compound with molecular formula C18H22N2OS and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-[(3-methylbutyl)sulfanyl]-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(isopentylthio)-6-oxo-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C18H22N2OS |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 4.113 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1453 |
| Heavy Atoms | 22 |
| Complexity | 610.9695 |
Chemical Identifiers
| CAS Number | 488122-42-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCCC(C)C |
Product Overview
6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 488122-42-5), with molecular formula C18H22N2OS and molecular weight 314.15 g/mol. IUPAC: 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Property Insights of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
The XLogP value of 4.113 indicates that 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-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, 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-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 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The CAS number of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is 488122-42-5.
What is the molecular formula of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular formula of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is C18H22N2OS.
What is the molecular weight of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular weight of 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is 314.15 g/mol.
Where can I buy 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
You can request a quote for 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.