Organofluorine / Alfa Chemistry
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine

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(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
Catalog OFC767340034
CAS 767340-03-4
Category Fluoroalkenes
Purity 95%
MDL Number MFCD12031551
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C16H13F6N5O
Molecular Weight 405.30
Molar Refractivity 86.78
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.79
MLogP 2.85
SILICOS-IT 2.92
WLogP 4.02
XLogP3 1.73
iLogP 2.41
BBB Permeant No
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -7.54 cm/s
P-gp Substrate Yes
Fraction Csp3 0.31
GHS Pictogram GHS07
Hazard Statements H302
Precautionary Statements P280-P305+P351+P338

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