flubrotizolam NEW

English name: Flubrotizolam

CAS number: 57801-95-3

Molecular formula: C15H10BrFN4S

Molecular weight: 377.23

EINECS number: 200-284-8

MDL No. :

Stats

Boiling point 535.7±60.0 °C(Predicted)

Density 1.76± 0.1g /cm3(Predicted)

Solubility DMF:5.0(Max Conc.mg /mL); 13.0(Max Conc.mM)

DMSO:5.0(Max Conc.mg /mL); 13.0(Max Conc.mM)

DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc.mg /mL); 1.3(Max Conc.mM)

Acidity coefficient (pKa)1.98±0.40(Predicted)

The shape is A crystalline solid

InChIInChI = 1 s/C15H10BrFN4S/c1-8-19-20-8-19-20-14 (9-4-2-9-4-2 (9) 17) (16) 22 10-6-12-15, 21 (8) (10) 13 / h2-6 h, h2, h3

InChIKeyVOZDBDBHBXLWCG-UHFFFAOYSA-N

SMILESN12C(C)=NN=C1CN=C(C1=CC=CC=C1F)C1C=C(Br)SC=12