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.
Dry Powder; Other Solid
White solid; Insoluble in water; [Merck Index] Off-white odorless powder
Appearance
White hexagonal crystals
White, amorphous powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
H-bond acceptors
8
H-bond donors
2
Molar refractivity
31.93
TPSA
186.38
LogP / Solubility
WLOGP
-6.39
MLOGP
-5.55
XLogP3
-6.39
Consensus LogP
-6.11
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
0.6
Class (SILICOS-IT)
Highly 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)
-11.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H360 (99.7%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
H400 (98.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]