2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-
TL;DR: 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- (CAS 61380-93-6) is a chemical compound with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-oxo-6-pyridin-3-ylpyran-3-carbonitrile
Also Known As: J1.014.025K, 4-methylsulfanyl-2-oxo-6-pyridin-3-ylpyran-3-carbonitrile, 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-, 4-Methylsulfanyl-2-oxo-6-pyridin-3-yl-2H-pyran-3-carbonitrile, 4-(methylsulfanyl)-2-oxo-6-(pyridin-3-yl)-2H-pyran-3-carbonitrile
| Molecular Formula | C12H8N2O2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.29538 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.03065 |
| Heavy Atoms | 17 |
| Complexity | 629.1893 |
Chemical Identifiers
| CAS Number | 61380-93-6 |
|---|---|
| SMILES | CSC1=C(C(=O)OC(=C1)C2=CN=CC=C2)C#N |
Product Overview
2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- (CAS 61380-93-6), with molecular formula C12H8N2O2S and molecular weight 244.03 g/mol. IUPAC: 4-methylsulfanyl-2-oxo-6-pyridin-3-ylpyran-3-carbonitrile.
Chemical Property Profile of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-
Property Insights of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-
The XLogP value of 2.29538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-. Following Lipinski's Rule of Five, 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- 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 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-?
The CAS number of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- is 61380-93-6.
What is the molecular formula of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-?
The molecular formula of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- is C12H8N2O2S.
What is the molecular weight of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-?
The molecular weight of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- is 244.03 g/mol.
Where can I buy 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-?
You can request a quote for 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.