acitretin
- CAS:
- Other names:
- SMILES: COc1cc(C)c(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)c(C)c1C
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 326.43 | 3 | 1 | 5.17 | 46.53 | 6 | 76 | 0.29 | C21H26O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1772 | 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).[acitretin] | 3.64 | 2.69 | 7.4 | 25.0 | HPLC-method | Paul C. Ho 2003 |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[acitretin] | 1.94 | 0.95 | 9.0 | 25.0 | HPLC-method | Paul C. Ho 2003 |
| [Randomly methylated-b-Cyclodextrin (DS ~12)](1).[acitretin] | 4.37 | 3.10 | 7.4 | 25.0 | HPLC-method | Paul C. Ho 2003 |
| [Randomly methylated-b-Cyclodextrin (DS ~12)](1).[acitretin] | 2.20 | 1.45 | 9.0 | 25.0 | HPLC-method | Paul C. Ho 2003 |