Identification Chemical Properties Hazard Information Supplier

1629229-37-3

Name Birinapant
CAS 1629229-37-3
Molecular Formula C16H15FN6OS
MDL Number MFCD30532641
Molecular Weight 358.39
MOL File 1629229-37-3.mol
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Chemical Properties

Boiling point  623.0±65.0 °C(Predicted)
density  1.56±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:20.0(Max Conc. mg/mL);55.8(Max Conc. mM)
form  Solid
pka -0.28±0.40(Predicted)
color  White to yellow
InChI InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
InChIKey PPSNFPASKFYPMN-SECBINFHSA-N
SMILES C(N1CCN2C(C3SN=C(C)N=3)=NN=C2[C@H]1C)(C1=CC=C(F)C=C1)=O

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