Organofluorine / Alfa Chemistry
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate

t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate

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t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
Catalog OFC147489063
CAS 147489-06-3
Category Fluoroalkenes
Purity 95%
MDL Number MFCD12911897
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C32H36FNO4
Molecular Weight 517.63
Molar Refractivity 148.79
Bioavailability Score 0.17
Egan 1.0
Ghose None
Lipinski 2.0
Muegge 1.0
Veber 0.0
Consensus LogP 6.38
MLogP 4.86
SILICOS-IT 7.79
WLogP 7.82
XLogP3 6.39
iLogP 5.04
BBB Permeant No
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor Yes
CYP3A4 Inhibitor Yes
GI Absorption Low
LogKp -4.92 cm/s
P-gp Substrate Yes
Fraction Csp3 0.44
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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