![2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid structure](/static/products/3853/385382-63-8.webp)
2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid
TL;DR: 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid (CAS 385382-63-8) is a chemical compound with molecular formula C15H12FNO3S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid, ZERO/006062, 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylbenzoic acid, 2-((2-[(2-Fluorophenyl)amino]-2-oxoethyl)thio)benzoic acid, 2-((2-((2-Fluorophenyl)amino)-2-oxoethyl)thio)benzoic acid
| Molecular Formula | C15H12FNO3S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0522 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 385382-63-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=CC=C2F |
| InChIKey | XOTPQGNCZGARQA-UHFFFAOYSA-N |
Product Overview
2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid (CAS 385382-63-8), with molecular formula C15H12FNO3S and molecular weight 305.05 g/mol. IUPAC: 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid
Property Insights of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid
The XLogP value of 3.0 indicates that 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid. Following Lipinski's Rule of Five, 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid has 2 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 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid?
The CAS number of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid is 385382-63-8.
What is the molecular formula of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid?
The molecular formula of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid is C15H12FNO3S.
What is the molecular weight of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid?
The molecular weight of 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid is 305.05 g/mol.
Where can I buy 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid?
You can request a quote for 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic 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-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.