2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
TL;DR: 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 264255-03-0) is a chemical compound with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, AE-848/37125112, 6-benzylsulfanyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(benzylthio)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C19H16N2O2S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 3.66428 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.09326 |
| Heavy Atoms | 24 |
| Complexity | 824.7605 |
Chemical Identifiers
| CAS Number | 264255-03-0 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)O |
Product Overview
2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 264255-03-0), with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol. IUPAC: 6-benzylsulfanyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
Property Insights of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
The XLogP value of 3.66428 indicates that 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile has 2 hydrogen bond donor(s) and 4 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-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The CAS number of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 264255-03-0.
What is the molecular formula of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular formula of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is C19H16N2O2S.
What is the molecular weight of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular weight of 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 336.09 g/mol.
Where can I buy 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
You can request a quote for 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-4-(3-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.