celecoxib
- CAS:
- Other names:
- SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 381.37 | 4 | 1 | 5.30 | 86.35999999999999 | 4 | 130 | 0.12 | C17H14F3N3O2S |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C586 | 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).[celecoxib] | 2.95 | 7.0 | 30.0 | UV-vis spectroscopy | M. S. Nagarsenker 2005 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[celecoxib] | 2.28 | 7.0 | 25.0 | HPLC, NMR spectroscopy | Cinzia AnnaVentura 2006 | |