![CAS 55466-76-7 hexakis[mu-(acetato-O:O’)]-mu3-oxo-triangulo-triruthenium acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55466-76-7.gif)
CAS RN: 55466-76-7
hexakis[mu-(acetato-O:O’)]-mu3-oxo-triangulo-triruthenium acetate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS55466-76-7
- Purity/Analytical Methods: >99.0%
55466-76-7 / oxygen(2-);tris(ruthenium(3+));heptaacetate
Basic Information
CAS
55466-76-7
Multi CAS
Yes
Molecular Formula
C14H21O15Ru3
Molecular Weight
732.500000
Exact Mass
735.803380
InChI
InChI=1S/7C2H4O2.3Ru/c7*1-2(3)4;;;/h7*1H3,(H,3,4);;;/q;;;;;;;3*+3/p-7
InChIKey
YLYBKNICSPYRDA-UHFFFAOYSA-G
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.5
H-bond acceptors
14
Molar refractivity
75.45
TPSA
309.41
LogP / Solubility
WLOGP
-8.83
MLOGP
-7.71
XLogP3
-8.83
Consensus LogP
-8.46
Log S (ESOL)
1.18
Class (ESOL)
Highly soluble
Log S (Ali)
0.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.91
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)
-13.46
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
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