2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol
- Product Name2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol
- CAS274693-26-4
- MFC26H32F2N6O4S
- MW562.63
- EINECS682-426-2
- MOL File274693-26-4.mol
Chemical Properties
| Melting point | 52 - 60°C |
| Boiling point | 759.1±70.0 °C(Predicted) |
| Density | 1.59±0.1 g/cm3 (20 ºC 760 Torr) |
| storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka | 14.33±0.10(Predicted) |
| form | Solid |
| color | White to Pale Beige |
| Stability | Hygroscopic |
| InChIKey | WLEOHEIRUFTYCF-FYEBJQQMSA-N |
| SMILES | C(O)CO[C@@H]1[C@]2([H])[C@]([H])([C@H](N3C4C(N=N3)=C(N[C@@H]3C[C@H]3C3=CC=C(F)C(F)=C3)N=C(SCCC)N=4)C1)OC(C)(C)O2 |