1613710-01-2
| Name | ARN-3236 |
| CAS | 1613710-01-2 |
| Molecular Formula | C19H16N2O2S |
| MDL Number | MFCD31813721 |
| Molecular Weight | 336.41 |
| MOL File | 1613710-01-2.mol |
Chemical Properties
| density | 1.278±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO:65.67(Max Conc. mg/mL);195.21(Max Conc. mM) Ethanol:2.0(Max Conc. mg/mL);5.95(Max Conc. mM) DMF:30.0(Max Conc. mg/mL);89.18(Max Conc. mM) DMSO:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.59(Max Conc. mM) |
| form | A crystalline solid |
| pka | 13.33±0.40(Predicted) |
| color | White to off-white |
| InChI | 1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21) |
| InChIKey | WEHOIIGXTMKVRG-UHFFFAOYSA-N |
| SMILES | [s]1cc(cc1)c2c3c([nH]cc3c4c(cc(cc4)OC)OC)ncc2 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |