Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate
TL;DR: Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate (CAS 313380-06-2) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate
Also Known As: TimTec1_004446, vinyl 2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetate, vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate, A1280/0058500, ethenyl [(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 313380-06-2 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)OC=C)C |
| InChIKey | GXWPINRTJYTCHW-UHFFFAOYSA-N |
Product Overview
Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate (CAS 313380-06-2), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: ethenyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate
Property Insights of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate. Following Lipinski's Rule of Five, Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate 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 Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate?
The CAS number of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate is 313380-06-2.
What is the molecular formula of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate?
The molecular formula of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate is C12H12N2O2S.
What is the molecular weight of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate?
The molecular weight of Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate is 248.06 g/mol.
Where can I buy Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate?
You can request a quote for Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl 2-(3-cyano-4,6-dimethyl-2-pyridylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.