CAS RN: 59091-96-2

Ruthenium, dichloro[1,1′-(sulfinyl-κO)bis[methane]]tris[1,1′-(sulfinyl-κS)bis[methane]]-, (OC-6-22)-

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  • Product code: starshine_CAS59091-96-2
  • Purity/Analytical Methods: >99.0%
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59091-96-2 / methylsulfinylmethane;ruthenium(2+);dichloride

Standard CAS: 59091-96-2 Multi CAS: Yes

Basic Information

CAS
59091-96-2
Multi CAS
Yes
Molecular Formula
C8H24CL2O4RUS4
Molecular Weight
484.500000
Exact Mass
483.897790
InChI
InChI=1S/4C2H6OS.2ClH.Ru/c4*1-4(2)3;;;/h4*1-2H3;2*1H;/q;;;;;;+2/p-2
InChIKey
UMJDEUKQHKMAOI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
79.96
TPSA
68.28

LogP / Solubility

WLOGP
-6.02
MLOGP
-5.26
XLogP3
-6.02
Consensus LogP
-5.77
Log S (ESOL)
0.95
Class (ESOL)
Highly soluble
Log S (Ali)
0.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.18
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)
-9.95

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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