CAS RN: 28529-99-9
SODIUM HEXABROMOIRIDATE(IV)
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS28529-99-9
- Purity/Analytical Methods: >99.0%
28529-99-9 / disodium;hexabromoiridium(2-)
Basic Information
CAS
28529-99-9
Multi CAS
No
Molecular Formula
Br6IrNa2
Molecular Weight
717.600000
Exact Mass
718.446340
SMILES
[Na+].[Na+].Br[Ir-2](Br)(Br)(Br)(Br)Br
InChI
InChI=1S/6BrH.Ir.2Na/h6*1H;;;/q;;;;;;+4;2*+1/p-6
InChIKey
XUAIOVIZUXDJGC-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
9
H-bond acceptors
1
Molar refractivity
53.56
TPSA
0.0000
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.75
XLogP3
-0.92
Consensus LogP
-0.86
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-7.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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