diflunisal
- CAS:
- Other names:
- SMILES: OC(=O)c1cc(ccc1O)c2ccc(F)cc2F
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 250.20 | 3 | 2 | 3.04 | 57.53 | 2 | 59 | 0.00 | C13H8F2O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C918 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diflunisal] | 3.59 | 2.56 | 7.4 | 24.0 | Equilibrium dialysis method-HPLC method | James Blanchard 1999 |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diflunisal] | 3.53 | 7.4 | 25.0 | Microcalorimetric titrations | James Blanchard 1999 | |