(S)-3-phenylbutyric acid
- CAS:
- Other names:
- SMILES: C[C@@H](CC(O)=O)c1ccccc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 164.20 | 2 | 1 | 2.26 | 37.3 | 3 | 33 | 0.30 | C10H12O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1577 | 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 |
|---|---|---|---|---|---|---|
| [mono-(6-amino-6-deoxy)-b-CD](1).[(S)-3-phenylbutyric acid ] | 2.64 | 1.15 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 |
| [b-Cyclodextrin](1).[(S)-3-phenylbutyric acid ] | 2.63 | 0.60 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 |