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 |
Product Description
Applications: Diflunisal 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. CoreyChem supplies Diflunisal (CAS 22494-42-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diflunisal is a pharmaceutical intermediate identified by CAS number 22494-42-4 and the molecular formula C13H8F2O3 and a molecular weight of 250.04 g/mol. Physically, the compound has a solubility: Practically insoluble (14.5 mg/L) at neutral or acidic pH. It is also known as diflunisal and Dolobid.
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 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.
What are the applications of Diflunisal?
Diflunisal 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. CoreyChem supplies Diflunisal (CAS 22494-42-4) with custom...
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.