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.
Golden solid with a metallic luster; [Merck Index] Yellow or gold powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
3
H-bond acceptors
2
Molar refractivity
20.94
TPSA
64.2000
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
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 84 of 85 companies (only 1.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.