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
White solid when pure, but may be brown or black; Exists in alpha and beta crystalline forms; [Merck Index] Grey odorless powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
4
Molar refractivity
24.62
TPSA
12.96
LogP / Solubility
WLOGP
-2.42
MLOGP
-2.13
XLogP3
-2.42
Consensus LogP
-2.32
Log S (ESOL)
0.81
Class (ESOL)
Highly soluble
Log S (Ali)
1.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.43
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)
-5.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 250 of 257 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.