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.
Crystals from acetone + hexane
White to off-white...crystalline powder.
State
Solid
Storage Conditions
Do not store above 30 °C.
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
90.79
TPSA
34.14
LogP / Solubility
WLOGP
4.5
MLOGP
3.97
XLogP3
3.8
Consensus LogP
4.09
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
Pictogram(s)
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H372 (97.8%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
H410 (91.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]