Dihydrodiol Ibrutinib
- Product NameDihydrodiol Ibrutinib
- CAS1654820-87-7
- MFC25H26N6O4
- MW474.51
- EINECS
- MOL File1654820-87-7.mol
Chemical Properties
| Melting point | >93°C (dec.) |
| Boiling point | 790.3±60.0 °C(Predicted) |
| Density | 1.46±0.1 g/cm3(Predicted) |
| storage temp. | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 13.13±0.20(Predicted) |
| color | White to Off-White |
| Stability | Hygroscopic |
| InChIKey | NWKPMPRXJGMTKQ-DIAVIDTQSA-N |
| SMILES | C(N1CCC[C@@H](N2C3C(C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)=C(N)N=CN=3)C1)(=O)C(O)CO |