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CAS 10378-49-1 SODIUM TETRABROMOAURATE(III) HYDRATE molecular structure lightbox
CAS RN: 10378-49-1

SODIUM TETRABROMOAURATE(III) HYDRATE

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  • Product code: starshine_CAS10378-49-1
  • Purity/Analytical Methods: >99.0%
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10378-49-1 / sodium;tetrabromogold(1-);hydrate

Sodium tetrabromoaurate(III) hydrate | RefChem:887928 | 621-604-6

Standard CAS: 10378-49-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10378-49-1
Multi CAS
Yes
Molecular Formula
AuBr4H2NaO
Molecular Weight
557.590000
Exact Mass
557.636160
SMILES
O.[Na+].Br[Au-](Br)(Br)Br
InChI
InChI=1S/Au.4BrH.Na.H2O/h;4*1H;;1H2/q+3;;;;;+1;/p-4
InChIKey
DCARRTFPXWVHEC-UHFFFAOYSA-J
Synonyms
Sodium tetrabromoaurate(III) hydrate RefChem:887928 621-604-6 sodium;tetrabromogold(1-);hydrate DTXSID80746035

Computed Properties

Structural Parameters

Heavy atom count
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.32
TPSA
31.5

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.34
XLogP3
-0.44
Consensus LogP
-0.41
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.43

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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