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, odourless powder having a slightly sweet taste
White crystalline powder; Odorless
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
159
Aromatic heavy atom count
18
Fraction Csp3
0.58
Rotatable bonds
70
H-bond acceptors
27
H-bond donors
38
Molar refractivity
581.89
TPSA
1013.79
LogP / Solubility
WLOGP
-8.79
MLOGP
-7.49
XLogP3
-7.4
Consensus LogP
-7.89
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-11.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-22.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (30%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H334 (90%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H334 (75%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]