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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8 package records5 with current stock2 grade groups
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1g |
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| Batchno.20260613 |
250mg |
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5g |
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100mg |
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100mg |
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1g |
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250mg |
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5g |
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Product code:
starshine_CAS59091-96-2
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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