1627856-64-7
| Name | RET Kinase inhibitor 1 |
| CAS | 1627856-64-7 |
| Molecular Formula | C22H21F4N3O4 |
| MDL Number | MFCD30747847 |
| Molecular Weight | 467.41 |
| MOL File | 1627856-64-7.mol |
Chemical Properties
| Boiling point | 670.1±55.0 °C(Predicted) |
| density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | DMSO:81.0(Max Conc. mg/mL);173.29(Max Conc. mM) DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.53(Max Conc. mM) Ethanol:15.5(Max Conc. mg/mL);33.16(Max Conc. mM) |
| form | A crystalline solid |
| pka | 10.30±0.10(Predicted) |
| color | White to off-white |
| InChI | 1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31) |
| InChIKey | IDXKJSSOUXWLDB-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(C)(C)c1[o]nc(c1)NC(=O)Cc2c(cc(cc2)c3c[nH][c](cc3OCC)=O)F |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |