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
Water-white liquid; Soluble in water; [Hawley] Yellowish hygroscopic liquid; Slightly soluble in water; [Merck Index] Colorless viscous liquid with a stench; Slightly soluble in water
Appearance
YELLOWISH, VERY VISCOUS LIQUID
COLORLESS OR PALE YELLOW
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
26.95
TPSA
40.46
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.65
XLogP3
-0.8
Consensus LogP
-0.73
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.9
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
2
Customers Also Viewed
2-Nitrophenyl n-Octyl Ether [Matrix for FABMS and liquid SIMS]