Secobarbital
- CAS:
- Other names:
- SMILES: CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 238.28 | 5 | 2 | 2.01 | 75.27000000000001 | 5 | 56 | 0.58 | C12H18N2O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1806 | 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).[Secobarbital ] | 4.62 | 5.5 | 25.0 | Calorimetry | Hatsumi Aki 2001 | |