| Melting point |
92.7-94.9° |
| Boiling point |
704.2±60.0 °C(Predicted) |
| Density |
1.252±0.06 g/cm3(Predicted) |
| storage temp. |
Sealed in dry,Store in freezer, under -20°C |
| Water Solubility |
Insoluble in water |
| solubility |
DMF:5.0(Max Conc. mg/mL);11.59(Max Conc. mM)
DMSO:48.67(Max Conc. mg/mL);112.77(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:10):0.09(Max Conc. mg/mL);0.21(Max Conc. mM)
Ethanol:9.0(Max Conc. mg/mL);20.86(Max Conc. mM) |
| form |
powder to crystal |
| pka |
13.13±0.46(Predicted) |
| color |
White to Orange to Green |
| InChI |
1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2- |
| InChIKey |
KMZQAVXSMUKBPD-DJWKRKHSSA-N |
| SMILES |
C(NC/C=C\COC1=NC=CC(CN2CCCCC2)=C1)(=O)CS(CC1=CC=CO1)=O |
| CAS DataBase Reference |
118288-08-7(CAS DataBase Reference) |
