rofecoxib
- CAS:
- Other names:
- SMILES: C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 314.36 | 4 | 0 | 3.64 | 68.82000000000001 | 3 | 87 | 0.12 | C17H14O4S |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C41 | 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).[rofecoxib] | 2.29 | 7.0 | 30.0 | UV/VIS spectrometry | Sanjula Baboota, 2005 | |