Dry Powder
Slightly hygroscopic white powder; [Hawley]
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
3
Molar refractivity
2.06
TPSA
85.5
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.29
XLogP3
-0.36
Consensus LogP
-0.34
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 29 of 30 companies (only 3.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.