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.
Yellow to colorless solid; [Merck Index] Yellow or orange powder
Appearance
Yellow to colorless crystals from toluene
Golden-brown yellow plates from benzene, acetic acid
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Handle and store under inert gas. Storage class (TRGS 510): Non Combustible Solids.
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
20
Molar refractivity
87.65
TPSA
0.0000
LogP / Solubility
WLOGP
5.74
MLOGP
5.06
XLogP3
5.8
Consensus LogP
5.53
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.19
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
2.5
Safety & Transport
Pictogram(s)
Health Hazard
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H351 (20%): Suspected of causing cancer [Warning Carcinogenicity]
H410 (20%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]