![Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate structure](/static/products/6322/632291-79-3.webp)
Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate
TL;DR: Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate (CAS 632291-79-3) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]acetate
Also Known As: ZERO/008080, Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate, methyl 2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetate, methyl 2-(3-cyano-6-ethyl-5-methyl-2-pyridylthio)acetate, 6-Ethyl-2-[(2-methoxy-2-oxoethyl)thio]-5-methylnicotinonitrile
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.0892 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 466.3088 |
Chemical Identifiers
| CAS Number | 632291-79-3 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC(=O)OC |
Product Overview
Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate (CAS 632291-79-3), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: methyl 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate
Property Insights of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate
The XLogP value of 2.0892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate. Following Lipinski's Rule of Five, Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]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 Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate?
The CAS number of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate is 632291-79-3.
What is the molecular formula of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate?
The molecular formula of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate is C12H14N2O2S.
What is the molecular weight of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate?
The molecular weight of Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate is 250.08 g/mol.
Where can I buy Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate?
You can request a quote for Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.