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.
Liquid
Yellow oily liquid; [Merck Index] Amber viscous liquid, cream to tan beads or flakes, or hard waxy solid; [JECFA] Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
3
Molar refractivity
90.56
TPSA
96.22
LogP / Solubility
WLOGP
1.93
MLOGP
1.72
XLogP3
3.7
Consensus LogP
2.45
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 317 of 328 companies (only 3.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.