Organofluorine / Alfa Chemistry
N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide

N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide

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N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide
Catalog OFC90356788
CAS 90356-78-8
Category Fluorinated Nitriles
Purity 97%
MDL Number MFCD08235143
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Chemical Data Computational Chemistry
Molecular Formula C18H14F4N2O2S
Molecular Weight 398.37
Molar Refractivity 92.49
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 3.94
MLogP 3.45
SILICOS-IT 4.44
WLogP 5.58
XLogP3 3.58
iLogP 2.65
BBB Permeant No
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor Yes
CYP2C9 Inhibitor No
CYP2D6 Inhibitor Yes
CYP3A4 Inhibitor Yes
GI Absorption High
LogKp -6.19 cm/s
P-gp Substrate No
Fraction Csp3 0.22

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