Organofluorine / Alfa Chemistry
(2R,2'R,3R,3'R,4S,4'S,5R,5'R,6S,6'S)-6,6'-Thiobis(4-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diol)

(2R,2'R,3R,3'R,4S,4'S,5R,5'R,6S,6'S)-6,6'-Thiobis(4-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diol)

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(2R,2'R,3R,3'R,4S,4'S,5R,5'R,6S,6'S)-6,6'-Thiobis(4-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diol)
Catalog OFC1450824222
CAS 1450824-22-2
Category Fluorinated Aromatic Alcohols and Phenols
Purity >95%
MDL Number MFCD29919388
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C28H30F2N6O8S
Molecular Weight 648.64
Molar Refractivity 151.82
Bioavailability Score 0.17
Egan 1.0
Ghose None
Lipinski 3.0
Muegge 4.0
Veber 1.0
Consensus LogP 0.37
MLogP -0.77
SILICOS-IT -1.22
WLogP 0.72
XLogP3 0.24
iLogP 2.87
BBB Permeant No
CYP1A2 Inhibitor No
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor Yes
GI Absorption Low
LogKp -10.09 cm/s
P-gp Substrate Yes
Fraction Csp3 0.43
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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