This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
White to pale yellow solid; [Merck Index] Yellow odorless powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
3
Molar refractivity
13.57
TPSA
85.5
LogP / Solubility
WLOGP
-1.12
MLOGP
-0.97
XLogP3
-1.12
Consensus LogP
-1.07
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (16.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (15.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (16.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H372 (12%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
H412 (10.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]