Triflusal
TL;DR: Triflusal (CAS 322-79-2) is a chemical compound with molecular formula C10H7F3O4 and molecular weight 248.02965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxy-4-(trifluoromethyl)benzoic acid
Also Known As: Triflusal, Disgren, 2-Acetoxy-4-trifluoromethylbenzoic acid, Triflusalum, Grendis
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H7F3O4 |
| Molecular Weight | 248.02965 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.02965 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| Melting Point | 114-117ºC |
| Solubility | <1 mg/ml |
| SMILES | CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O |
| InChIKey | RMWVZGDJPAKBDE-UHFFFAOYSA-N |
Product Description
Applications: Triflusal is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Triflusal is a pharmaceutical intermediate identified by CAS number 322-79-2 and the molecular formula C10H7F3O4 and a molecular weight of 248.03 g/mol. Physically, the compound has a solubility: <1 mg/ml. Synonyms include Triflusal and Disgren.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Triflusal
Property Insights of Triflusal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triflusal. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Triflusal. Following Lipinski's Rule of Five, Triflusal has 1 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 Triflusal?
The CAS number of Triflusal is 322-79-2.
What is the molecular formula of Triflusal?
The molecular formula of Triflusal is C10H7F3O4.
What is the molecular weight of Triflusal?
The molecular weight of Triflusal is 248.02965 g/mol.
What are the applications of Triflusal?
Triflusal is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Triflusal?
You can request a quote for Triflusal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Triflusal?
Yes, CoreyChem provides custom synthesis services for Triflusal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.