CAS RN: 123334-23-6
SODIUM HEXACHLOROIRIDATE(III) HYDRATE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS123334-23-6
- Purity/Analytical Methods: >99.0%
123334-23-6 / trisodium;hexachloroiridium(3-);hydrate
Basic Information
CAS
123334-23-6
Multi CAS
No
Molecular Formula
Cl6H2IrNa3O
Molecular Weight
491.900000
Exact Mass
491.752960
SMILES
O.[Na+].[Na+].[Na+].Cl[Ir-3](Cl)(Cl)(Cl)(Cl)Cl
InChI
InChI=1S/6ClH.Ir.3Na.H2O/h6*1H;;;;;1H2/q;;;;;;+3;3*+1;/p-6
InChIKey
DXIIVDVTQZORNM-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.73
TPSA
31.5
LogP / Solubility
WLOGP
-5.68
MLOGP
-4.96
XLogP3
-5.68
Consensus LogP
-5.44
Log S (ESOL)
0.69
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.86
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)
-9.75
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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