Organofluorine / Alfa Chemistry
Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate

Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate

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Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
Catalog OFC31686949
CAS 31686-94-9
Category Fluorinated Esters; Fluorinated Ketones
Purity 98%
MDL Number MFCD02672449
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Chemical Data Computational Chemistry
Molecular Formula C12H11FO4
Molecular Weight 238.21
Molar Refractivity 57.31
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 1.95
MLogP 1.36
SILICOS-IT 2.69
WLogP 1.95
XLogP3 1.98
iLogP 1.75
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor Yes
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -6.35 cm/s
P-gp Substrate No
Fraction Csp3 0.25

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