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 to amber liquid; [Merck Index] Clear deep brownish-yellow viscous liquid
Appearance
AMBER LIQUID
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.88
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
3
Molar refractivity
118.17
TPSA
96.22
LogP / Solubility
WLOGP
4.05
MLOGP
3.59
XLogP3
6
Consensus LogP
4.55
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
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 1221 of 1224 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.