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Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
TL;DR: Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate (CAS 339187-56-3) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate
Also Known As: methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate, methyl 2-((5-acetyl-3-cyano-6-methylpyridin-2-yl)thio)acetate, A0441/0020395, methyl 2-(5-acetyl-3-cyano-6-methyl-2-pyridylthio)acetate, methyl 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetate
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 339187-56-3 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC(=O)OC)C#N)C(=O)C |
| InChIKey | YOKVUUVRULZTDK-UHFFFAOYSA-N |
Product Overview
Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate (CAS 339187-56-3), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: methyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
Property Insights of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 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 [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate?
The CAS number of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate is 339187-56-3.
What is the molecular formula of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate?
The molecular formula of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate is C12H12N2O3S.
What is the molecular weight of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate?
The molecular weight of Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate is 264.06 g/mol.
Where can I buy Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate?
You can request a quote for Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.