2,4,5-Trifluorobenzoic acid
TL;DR: 2,4,5-Trifluorobenzoic acid (CAS 446-17-3) is a chemical compound with molecular formula C7H3F3O2 and molecular weight 176.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trifluorobenzoic acid
Also Known As: 2,4,5-Trifluorobenzoic acid, Benzoic acid, 2,4,5-trifluoro-, p-Propoxybenzoic acid, 4-Propoxybenzoic acid, p-Propyloxybenzoic acid
| Molecular Formula | C7H3F3O2 |
|---|---|
| Molecular Weight | 176.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.00851 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 446-17-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)F)F)C(=O)O |
| InChIKey | AKAMNXFLKYKFOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trifluorobenzoic acid (CAS 446-17-3), with molecular formula C7H3F3O2 and molecular weight 176.01 g/mol. IUPAC: 2,4,5-trifluorobenzoic acid.
Chemical Property Profile of 2,4,5-Trifluorobenzoic acid
Property Insights of 2,4,5-Trifluorobenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trifluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,5-Trifluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trifluorobenzoic 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 2,4,5-Trifluorobenzoic acid?
The CAS number of 2,4,5-Trifluorobenzoic acid is 446-17-3.
What is the molecular formula of 2,4,5-Trifluorobenzoic acid?
The molecular formula of 2,4,5-Trifluorobenzoic acid is C7H3F3O2.
What is the molecular weight of 2,4,5-Trifluorobenzoic acid?
The molecular weight of 2,4,5-Trifluorobenzoic acid is 176.01 g/mol.
Where can I buy 2,4,5-Trifluorobenzoic acid?
You can request a quote for 2,4,5-Trifluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trifluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trifluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.