CAS RN: 17083-68-0

HYDROGEN TETRABROMOAURATE (III) HYDRATE (99.9%-AU)

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  • Product code: starshine_CAS17083-68-0
  • Purity/Analytical Methods: >99.0%
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17083-68-0 / gold(3+);hydron;tetrabromide

Standard CAS: 17083-68-0 Multi CAS: No

Basic Information

CAS
17083-68-0
Multi CAS
No
Molecular Formula
AuBr4H
Molecular Weight
517.590000
Exact Mass
517.643650
SMILES
[H+].[Br-].[Br-].[Br-].[Br-].[Au+3]
InChI
InChI=1S/Au.4BrH/h;4*1H/q+3;;;;/p-3
InChIKey
ISCGOTZIVSCDBJ-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
1.11
TPSA
0.0000

LogP / Solubility

WLOGP
-11.87
MLOGP
-10.41
XLogP3
-11.87
Consensus LogP
-11.38
Log S (ESOL)
4.43
Class (ESOL)
Highly soluble
Log S (Ali)
4.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.83
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)
-14.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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