2-(2-Fluorophenyl)sulfanylbenzoic acid
TL;DR: 2-(2-Fluorophenyl)sulfanylbenzoic acid (CAS 87033-71-4) is a chemical compound with molecular formula C13H9FO2S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)sulfanylbenzoic acid
Also Known As: 2-(2-fluorophenyl)sulfanylbenzoic acid, 2-[(2-fluorophenyl)sulfanyl]benzoic acid, Benzoic acid, 2-[(2-fluorophenyl)thio]-, Benzoic acid,2-[(2-fluorophenyl)thio], AE-641/04640053
| Molecular Formula | C13H9FO2S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 3.6751 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.03073 |
| Heavy Atoms | 17 |
| Complexity | 554.62067 |
Chemical Identifiers
| CAS Number | 87033-71-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2F |
Product Overview
2-(2-Fluorophenyl)sulfanylbenzoic acid (CAS 87033-71-4), with molecular formula C13H9FO2S and molecular weight 248.03 g/mol. IUPAC: 2-(2-fluorophenyl)sulfanylbenzoic acid.
Chemical Property Profile of 2-(2-Fluorophenyl)sulfanylbenzoic acid
Property Insights of 2-(2-Fluorophenyl)sulfanylbenzoic acid
The XLogP value of 3.6751 indicates that 2-(2-Fluorophenyl)sulfanylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(2-Fluorophenyl)sulfanylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluorophenyl)sulfanylbenzoic acid has 1 hydrogen bond donor(s) and 2 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-Fluorophenyl)sulfanylbenzoic acid?
The CAS number of 2-(2-Fluorophenyl)sulfanylbenzoic acid is 87033-71-4.
What is the molecular formula of 2-(2-Fluorophenyl)sulfanylbenzoic acid?
The molecular formula of 2-(2-Fluorophenyl)sulfanylbenzoic acid is C13H9FO2S.
What is the molecular weight of 2-(2-Fluorophenyl)sulfanylbenzoic acid?
The molecular weight of 2-(2-Fluorophenyl)sulfanylbenzoic acid is 248.03 g/mol.
Where can I buy 2-(2-Fluorophenyl)sulfanylbenzoic acid?
You can request a quote for 2-(2-Fluorophenyl)sulfanylbenzoic 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-Fluorophenyl)sulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluorophenyl)sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.