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; Pellets or Large Crystals
Tetrahydrate: Colorless or white deliquescent solid; [Merck Index] White hygroscopic crystals with a mild odor of acetic acid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
27.12
TPSA
80.26
LogP / Solubility
WLOGP
-2.87
MLOGP
-2.53
XLogP3
-2.87
Consensus LogP
-2.76
Log S (ESOL)
1.08
Class (ESOL)
Highly soluble
Log S (Ali)
1.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.8
Class (SILICOS-IT)
Highly 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)
-5.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2416 of 2427 companies (only 0.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.