4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
TL;DR: 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 797020-76-9) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(1,3-benzodioxol-5-yl)-6-hydroxy-2-[(3-methylbutyl)sulfanyl]-4,5-dihydropyridine-3-carbonitrile, 4-(benzo[d][1,3]dioxol-5-yl)-2-(isopentylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 3.53328 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 721.4643 |
Chemical Identifiers
| CAS Number | 797020-76-9 |
|---|---|
| SMILES | CC(C)CCSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N |
Product Overview
4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 797020-76-9), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Property Insights of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
The XLogP value of 3.53328 indicates that 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has 1 hydrogen bond donor(s) and 5 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-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The CAS number of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is 797020-76-9.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is C18H20N2O3S.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is 344.12 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-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 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.