![2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid structure](/static/products/851/851288-80-7.png)
2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid
TL;DR: 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid (CAS 851288-80-7) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)sulfanyl]acetic acid
Also Known As: 2-{[3-cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid, {[3-cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}acetic acid, 2-(3-cyano-5-ethoxycarbonyl-6-methylpyridin-2-yl)sulfanylacetic acid, ([3-cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio)acetic acid, 2-(3-cyano-5-ethoxycarbonyl-6-methyl-pyridin-2-yl)sulfanylacetic Acid
| Molecular Formula | C12H12N2O4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 1.6151 |
| Topological Polar Surface Area | 100.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.0518 |
| Heavy Atoms | 19 |
| Complexity | 551.39575 |
Chemical Identifiers
| CAS Number | 851288-80-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)O)C |
Product Overview
2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid (CAS 851288-80-7), with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol. IUPAC: 2-[(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)sulfanyl]acetic acid.
Chemical Property Profile of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid
Property Insights of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid
The XLogP value of 1.6151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid. The TPSA of 100.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid has 1 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 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid?
The CAS number of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid is 851288-80-7.
What is the molecular formula of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid is C12H12N2O4S.
What is the molecular weight of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid is 280.05 g/mol.
Where can I buy 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-Cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.