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.
Other Solid; Dry Powder
White odorless solid; [Merck Index] Colorless or white odorless hygroscopic solid; [HSDB] White odorless powder;
WHITE ODOURLESS POWDER.
Appearance
WHITE POWDER
Colorless or white rhombic crystalline solid transforming to hexagonal above 926 °C
White orthorhombic crystals
White crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
3
Molar refractivity
11.15
TPSA
63.19
LogP / Solubility
WLOGP
-2.83
MLOGP
-2.49
XLogP3
-2.83
Consensus LogP
-2.72
Log S (ESOL)
1.03
Class (ESOL)
Highly soluble
Log S (Ali)
1.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.73
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)
-5.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 398 of 401 companies (only 0.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.