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; Dry Powder, Other Solid
Tetrahydrate: Green odorless solid; [Merck Index] Light green powder; Insoluble in water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
H-bond acceptors
7
H-bond donors
4
Molar refractivity
13.14
TPSA
183.19
LogP / Solubility
WLOGP
-3.16
MLOGP
-2.77
XLogP3
-3.16
Consensus LogP
-3.03
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.99
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)
-6.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Acute Toxic
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]