5-Trifluoromethoxysalicylic acid
TL;DR: 5-Trifluoromethoxysalicylic acid (CAS 129644-57-1) is a chemical compound with molecular formula C8H5F3O4 and molecular weight 222.01399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-5-(trifluoromethoxy)benzoic acid
Also Known As: 2-hydroxy-5-(trifluoromethoxy)benzoic Acid, 5-(trifluoromethoxy)salicylic acid, 5-trifluoromethoxysalicylic acid, CP-122721 metabolite M15, Benzoic acid, 2-hydroxy-5-(trifluoromethoxy)-
Technical Specifications
| Molecular Formula | C8H5F3O4 |
| Molecular Weight | 222.01399 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.01399 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)O |
| InChIKey | HNYMLXYADOZCNY-UHFFFAOYSA-N |
Chemical Property Profile of 5-Trifluoromethoxysalicylic acid
Property Insights of 5-Trifluoromethoxysalicylic acid
The XLogP value of 3.7 indicates that 5-Trifluoromethoxysalicylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Trifluoromethoxysalicylic acid. Following Lipinski's Rule of Five, 5-Trifluoromethoxysalicylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Trifluoromethoxysalicylic acid?
The CAS number of 5-Trifluoromethoxysalicylic acid is 129644-57-1.
What is the molecular formula of 5-Trifluoromethoxysalicylic acid?
The molecular formula of 5-Trifluoromethoxysalicylic acid is C8H5F3O4.
What is the molecular weight of 5-Trifluoromethoxysalicylic acid?
The molecular weight of 5-Trifluoromethoxysalicylic acid is 222.01399 g/mol.
Where can I buy 5-Trifluoromethoxysalicylic acid?
You can request a quote for 5-Trifluoromethoxysalicylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Trifluoromethoxysalicylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Trifluoromethoxysalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.