2,5-Bis(trifluoromethyl)benzoic acid
TL;DR: 2,5-Bis(trifluoromethyl)benzoic acid (CAS 4312-87-2) is a chemical compound with molecular formula C9H4F6O2 and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(trifluoromethyl)benzoic acid
Also Known As: 2,5-Bis(trifluoromethyl)benzoic acid, 2,5-Bis benzoicacid, 2,5-bis(trifluoroformyl)benzoic acid, RARECHEM AL BO 1002, 2,5-di(trifluoromethyl)benzoic acid
| Molecular Formula | C9H4F6O2 |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.01154 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 4312-87-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(=O)O)C(F)(F)F |
| InChIKey | PINBPLCVZSKLTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Bis(trifluoromethyl)benzoic acid (CAS 4312-87-2), with molecular formula C9H4F6O2 and molecular weight 258.01 g/mol. IUPAC: 2,5-bis(trifluoromethyl)benzoic acid.
Chemical Property Profile of 2,5-Bis(trifluoromethyl)benzoic acid
Property Insights of 2,5-Bis(trifluoromethyl)benzoic acid
The XLogP value of 3.2 indicates that 2,5-Bis(trifluoromethyl)benzoic 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, 2,5-Bis(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(trifluoromethyl)benzoic acid has 1 hydrogen bond donor(s) and 8 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 2,5-Bis(trifluoromethyl)benzoic acid?
The CAS number of 2,5-Bis(trifluoromethyl)benzoic acid is 4312-87-2.
What is the molecular formula of 2,5-Bis(trifluoromethyl)benzoic acid?
The molecular formula of 2,5-Bis(trifluoromethyl)benzoic acid is C9H4F6O2.
What is the molecular weight of 2,5-Bis(trifluoromethyl)benzoic acid?
The molecular weight of 2,5-Bis(trifluoromethyl)benzoic acid is 258.01 g/mol.
Where can I buy 2,5-Bis(trifluoromethyl)benzoic acid?
You can request a quote for 2,5-Bis(trifluoromethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.