CAS RN: 50481-01-1
Tetrabutylammonium Dibromoaurate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: ICTT1261
50481-01-1 / dibromogold(1-);tetrabutylazanium
Basic Information
CAS
50481-01-1
Multi CAS
Yes
Molecular Formula
C16H36AUBR2N
Molecular Weight
599.200000
Exact Mass
599.085970
InChI
InChI=1S/C16H36N.Au.2BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;;2*1H/q2*+1;;/p-2
InChIKey
JHKGBGGRJMVGSW-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
97.21
TPSA
0.0000
LogP / Solubility
WLOGP
6.69
MLOGP
5.94
XLogP3
6.69
Consensus LogP
6.44
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-9.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
