3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one
TL;DR: 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one (CAS 61380-86-7) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile
Also Known As: 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one, 6-(4-methoxyphenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile, 2H-Pyran-3-carbonitrile, 6-(4-methoxyphenyl)-4-(methylthio)-2-oxo-, 6-(4-methoxyphenyl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile, 6-(4-methoxyphenyl)-4-methylthio-2-oxopyran-3-carbonitrile
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.90898 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 683.31775 |
Chemical Identifiers
| CAS Number | 61380-86-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)SC |
Product Overview
3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one (CAS 61380-86-7), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 6-(4-methoxyphenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile.
Chemical Property Profile of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one
Property Insights of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one
The XLogP value of 2.90898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one. Following Lipinski's Rule of Five, 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one has 0 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 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one?
The CAS number of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one is 61380-86-7.
What is the molecular formula of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one?
The molecular formula of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one is C14H11NO3S.
What is the molecular weight of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one?
The molecular weight of 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one is 273.05 g/mol.
Where can I buy 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one?
You can request a quote for 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4-(methylthio)-6-(4-methoxyphenyl)-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.