RPT-835(alofanib)
- Product NameRPT-835(alofanib)
- CAS1612888-66-0
- MFC19H15N3O6S
- MW413.4
- EINECS
- MOL File1612888-66-0.mol
Chemical Properties
| Boiling point | 659.6±65.0 °C(Predicted) |
| Density | 1.488±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO:47.7(Max Conc. mg/mL);115.38(Max Conc. mM) DMSO:PBS (pH 7.2) (1:6):0.14(Max Conc. mg/mL);0.34(Max Conc. mM) DMF:30.0(Max Conc. mg/mL);72.57(Max Conc. mM) |
| form | A crystalline solid |
| pka | 3.59±0.10(Predicted) |
| color | Light yellow to yellow |
| InChI | InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24) |
| InChIKey | QUQGQIASFYWKAB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(S(NC2=CC(C3=CC=CN=C3)=C(C)C=C2[N+]([O-])=O)(=O)=O)=C1 |
