Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-
TL;DR: Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- (CAS 203568-52-9) is a chemical compound with molecular formula C13H9F2NO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-2-(2-fluoroanilino)benzoic acid
Also Known As: 3-Fluoro-2-(2-fluoroanilino)benzoic acid, 3-Fluoro-2-(2-fluoroanilino)benzoic acid #, 3-Fluoro-2-(2-fluorophenylamino)benzoic acid, 3-Fluoro-2-[(2-fluorophenyl)amino]benzoic Acid, Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-
| Molecular Formula | C13H9F2NO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06013 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 203568-52-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=C(C=CC=C2F)C(=O)O)F |
| InChIKey | AZIAOUXXPIMDPH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- (CAS 203568-52-9), with molecular formula C13H9F2NO2 and molecular weight 249.06 g/mol. IUPAC: 3-fluoro-2-(2-fluoroanilino)benzoic acid.
Chemical Property Profile of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-
Property Insights of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-
The XLogP value of 4.6 indicates that Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- 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 Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-?
The CAS number of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- is 203568-52-9.
What is the molecular formula of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-?
The molecular formula of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- is C13H9F2NO2.
What is the molecular weight of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-?
The molecular weight of Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- is 249.06 g/mol.
Where can I buy Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-?
You can request a quote for Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-fluoro-2-(3-fluorophenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.