354813-19-7

Name Balicatib
CAS 354813-19-7
EINECS(EC#) 200-256-5
Molecular Formula C23H33N5O2
MDL Number MFCD19443790
Molecular Weight 411.54
MOL File 354813-19-7.mol
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Chemical Properties

Boiling point  687.4±55.0 °C(Predicted)
density  1.19±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:52.04(Max Conc. mg/mL);126.45(Max Conc. mM)
DMF:25.0(Max Conc. mg/mL);60.75(Max Conc. mM)
DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.21(Max Conc. mM)
Ethanol:1.75(Max Conc. mg/mL);4.25(Max Conc. mM)
form  A crystalline solid
pka 13.23±0.20(Predicted)
color  White to off-white
InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N
SMILES C(NC1(C(NCC#N)=O)CCCCC1)(=O)C1=CC=C(N2CCN(CCC)CC2)C=C1

Safety Data

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

Hazard Information

Spectrum Detail

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