2138861-99-9

Name ABBV-744
CAS 2138861-99-9
Molecular Formula C28H30FN3O4
MDL Number MFCD31657409
Molecular Weight 491.55
MOL File 2138861-99-9.mol
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Chemical Properties

Boiling point  663.7±55.0 °C(Predicted)
density  1.262±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:33.57(Max Conc. mg/mL);68.29(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.51(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);61.03(Max Conc. mM)
form  A crystalline solid
pka 13.77±0.40(Predicted)
color  White to light yellow
InChIKey OEDSFMUSNZDJFD-UHFFFAOYSA-N
SMILES C1(=O)N(C)C=C(C2=CC(C(O)(C)C)=CC=C2OC2=C(C)C=C(F)C=C2C)C2C=C(C(NCC)=O)NC1=2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning

Hazard Information