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.
Dry Powder, NKRA; Pellets or Large Crystals; Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.36
TPSA
12.03
LogP / Solubility
WLOGP
8.86
MLOGP
7.82
XLogP3
10.3
Consensus LogP
8.99
Log S (ESOL)
-7.77
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 190 of 207 companies (only 8.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.