Diflunisal
TL;DR: Diflunisal (CAS 22494-42-4) is a chemical compound with molecular formula C13H8F2O3 and molecular weight 250.04414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
Also Known As: diflunisal, Dolobid, Dolobis, Flovacil, Fluniget
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8F2O3 |
| Molecular Weight | 250.04414 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04414 Da |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
| Melting Point | 210-211 |
| Solubility | Practically insoluble (14.5 mg/L) at neutral or acidic pH. |
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O |
| InChIKey | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
Chemical Property Profile of Diflunisal
Property Insights of Diflunisal
The XLogP value of 4.4 indicates that Diflunisal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Diflunisal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diflunisal has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diflunisal?
The CAS number of Diflunisal is 22494-42-4.
What is the molecular formula of Diflunisal?
The molecular formula of Diflunisal is C13H8F2O3.
What is the molecular weight of Diflunisal?
The molecular weight of Diflunisal is 250.04414 g/mol.
Where can I buy Diflunisal?
You can request a quote for Diflunisal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diflunisal?
Yes, CoreyChem provides custom synthesis services for Diflunisal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.