valdecoxib
- CAS:
- Other names:
- SMILES: Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 314.36 | 4 | 1 | 4.75 | 94.57 | 3 | 100 | 0.06 | C16H14N2O3S |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C598 | 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 |
|---|---|---|---|---|---|---|
| [sulfobutylether-b-cyclodextrin](1).[valdecoxib] | 3.15 | 6.8 | 25.0 | UV-vis spectroscopy | Tayade Pralhad 2005 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[valdecoxib] | 2.48 | 6.8 | 25.0 | UV-vis spectroscopy | Tayade Pralhad 2005 | |
| [b-Cyclodextrin](1).[valdecoxib] | 2.17 | 6.8 | 25.0 | UV-vis spectroscopy | Tayade Pralhad 2005 | |