4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
TL;DR: 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 264255-01-8) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, AE-848/37125111, 4-(3-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(3-hydroxyphenyl)-2-(methylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.09388 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 560.3548 |
Chemical Identifiers
| CAS Number | 264255-01-8 |
|---|---|
| SMILES | CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)O)C#N |
Product Overview
4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 264255-01-8), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 4-(3-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
Property Insights of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
The XLogP value of 2.09388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-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 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The CAS number of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 264255-01-8.
What is the molecular formula of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular formula of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is C13H12N2O2S.
What is the molecular weight of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular weight of 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 260.06 g/mol.
Where can I buy 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
You can request a quote for 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-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 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.