![6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid structure](/static/products/4000/400087-76-5.webp)
6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid
TL;DR: 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid (CAS 400087-76-5) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyridine-3-carboxylic acid
Also Known As: 8G-309S, 6-[(2-ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid, 6-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyridine-3-carboxylic acid, 6-(1-ethoxycarbonylethylsulfanyl)pyridine-3-carboxylic Acid, 6-[(1-ethoxy-1-oxopropan-2-yl)sulfanyl]pyridine-3-carboxylic acid
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.8235 |
| Topological Polar Surface Area | 76.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 404.43738 |
Chemical Identifiers
| CAS Number | 400087-76-5 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC=C(C=C1)C(=O)O |
Product Overview
6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid (CAS 400087-76-5), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: 6-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid
Property Insights of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid
The XLogP value of 1.8235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid. The TPSA of 76.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid. Following Lipinski's Rule of Five, 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid has 1 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 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid?
The CAS number of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid is 400087-76-5.
What is the molecular formula of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid?
The molecular formula of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid is C11H13NO4S.
What is the molecular weight of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid?
The molecular weight of 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid is 255.06 g/mol.
Where can I buy 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid?
You can request a quote for 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-Ethoxy-1-methyl-2-oxoethyl)sulfanyl]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.