chenodeoxycholic acid
- CAS:
- Other names: CDCA
- SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 392.57 | 4 | 3 | 4.48 | 77.76 | 4 | 22 | 0.96 | C24H40O4 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1168 | 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 |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[chenodeoxycholic acid] | 2.77 | 7.4 | 25.0 | HPLC-method | G. Puglisi 1997 | |
| [BCD polymer](1).[chenodeoxycholic acid] | 2.83 | 7.4 | 25.0 | HPLC-method | G. Puglisi 1997 | |
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[chenodeoxycholic acid] | 2.75 | 7.4 | 25.0 | HPLC-method | G. Puglisi 1997 | |