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, Other Solid; Liquid, Other Solid; Other Solid; Liquid; Dry Powder; Pellets or Large Crystals
Off-white odorless powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
10
Molar refractivity
52.91
TPSA
167
LogP / Solubility
WLOGP
-13.4
MLOGP
-11.77
XLogP3
-13.4
Consensus LogP
-12.86
Log S (ESOL)
6.92
Class (ESOL)
Highly soluble
Log S (Ali)
6.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.62
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)
-14.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 209 of 212 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.