![2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid structure](/static/products/6102/610281-79-3.webp)
2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid
TL;DR: 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid (CAS 610281-79-3) is a chemical compound with molecular formula C14H10FNO3S and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid, 2-([2-(4-FLUOROPHENYL)-2-OXOETHYL]THIO)NICOTINIC ACID, 2-((2-(4-fluorophenyl)-2-oxoethyl)thio)nicotinic acid, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid, VU0509965-1
| Molecular Formula | C14H10FNO3S |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 2.8939 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.03653 |
| Heavy Atoms | 20 |
| Complexity | 643.1222 |
Chemical Identifiers
| CAS Number | 610281-79-3 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC(=O)C2=CC=C(C=C2)F)C(=O)O |
Product Overview
2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid (CAS 610281-79-3), with molecular formula C14H10FNO3S and molecular weight 291.04 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid
Property Insights of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid
The XLogP value of 2.8939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid. The TPSA of 67.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid has 1 hydrogen bond donor(s) and 4 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-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid?
The CAS number of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid is 610281-79-3.
What is the molecular formula of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid?
The molecular formula of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid is C14H10FNO3S.
What is the molecular weight of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid?
The molecular weight of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid is 291.04 g/mol.
Where can I buy 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid?
You can request a quote for 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Fluorophenyl)-2-oxoethyl]thio}nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.