CAS RN: 62728-89-6
RHODIUM(II) HEXANOATE DIMER
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS62728-89-6
- Purity/Analytical Methods: >99.0%
62728-89-6 / tetrakis(hexanoate);bis(rhodium(2+))
Basic Information
CAS
62728-89-6
Multi CAS
Yes
Molecular Formula
C24H44O8Rh2
Molecular Weight
666.400000
Exact Mass
666.114610
InChI
InChI=1S/4C6H12O2.2Rh/c4*1-2-3-4-5-6(7)8;;/h4*2-5H2,1H3,(H,7,8);;/q;;;;2*+2/p-4
InChIKey
FNSGZOCUBHMUMB-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.83
Rotatable bonds
16
H-bond acceptors
8
Molar refractivity
116.6
TPSA
160.52
LogP / Solubility
WLOGP
1.26
MLOGP
1.17
XLogP3
1.26
Consensus LogP
1.23
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
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)
-5.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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