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.
Other Solid; Dry Powder
Yellow odorless solid; [Merck Index] Insoluble
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
13.97
TPSA
43.37
LogP / Solubility
WLOGP
-1.07
MLOGP
-0.91
XLogP3
-1.07
Consensus LogP
-1.02
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-6.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 410 of 452 companies (only 9.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P270, P308+P316, P319, P321, P405, and P501