ibuprophen
- CAS:
- Other names: HIBU
- SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 206.28 | 2 | 1 | 3.07 | 37.3 | 4 | 36 | 0.46 | C13H18O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_109 | 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).[ibuprophen] | 4.23 | 3.23 | 15.0 | pH potentiometry | Emilio Aicart 1998 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] | 4.19 | 3.18 | 20.0 | pH potentiometry | Emilio Aicart 1998 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] | 4.20 | 3.20 | 25.0 | pH potentiometry | Emilio Aicart 1998 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] | 4.12 | 3.11 | 30.0 | pH potentiometry | Emilio Aicart 1998 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] | 4.02 | 3.00 | 35.0 | pH potentiometry | Emilio Aicart 1998 | |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] | 3.94 | 2.95 | 40.0 | pH potentiometry | Emilio Aicart 1998 | |