三氟柳
TL;DR: 三氟柳 (CAS 322-79-2) is a chemical compound with molecular formula C10H7F3O4 and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟柳
2-acetyloxy-4-(trifluoromethyl)benzoic acid
Also Known As: Triflusal, Disgren, 2-Acetoxy-4-trifluoromethylbenzoic acid, Triflusalum, Grendis
| Molecular Formula | C10H7F3O4 |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.02965 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| Melting Point | 114-117ºC |
| Solubility | <1 mg/ml |
Chemical Identifiers
| CAS Number | 322-79-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O |
| InChIKey | RMWVZGDJPAKBDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟柳 (CAS 322-79-2), with molecular formula C10H7F3O4 and molecular weight 248.03 g/mol. IUPAC: 2-acetyloxy-4-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 三氟柳
Property Insights of 三氟柳
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟柳. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氟柳. Following Lipinski's Rule of Five, 三氟柳 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
Frequently Asked Questions
What is the CAS number of 三氟柳?
The CAS number of 三氟柳 is 322-79-2.
What is the molecular formula of 三氟柳?
The molecular formula of 三氟柳 is C10H7F3O4.
What is the molecular weight of 三氟柳?
The molecular weight of 三氟柳 is 248.03 g/mol.
Where can I buy 三氟柳?
You can request a quote for 三氟柳 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟柳?
Yes, KEHONG BIO provides custom synthesis services for 三氟柳 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.