Store at 25 °C (77 °F); excursions permitted to 15-30 °C (59-86 °F).
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
156.11
TPSA
72.94
LogP / Solubility
WLOGP
7.26
MLOGP
6.43
XLogP3
6.9
Consensus LogP
6.86
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-9.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Pictogram(s)
Health Hazard
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H361 (12.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H411 (82.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]