CAS RN: 50982-13-3
Dichloro(1,5-cyclooctadien)ruthenium(II) polymer
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS50982-13-3
- Purity/Analytical Methods: >99.0%
50982-13-3 / (1Z,5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
Basic Information
CAS
50982-13-3
Multi CAS
Yes
Molecular Formula
C8H12CL2RU
Molecular Weight
280.200000
Exact Mass
279.935946
InChI
InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
InChIKey
DMRVBCXRFYZCPR-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
36.75
TPSA
0.0000
LogP / Solubility
WLOGP
-3.32
MLOGP
-2.91
XLogP3
-3.32
Consensus LogP
-3.18
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.28
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)
-6.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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