CAS RN: 96503-27-4
Dichloro(pentamethylcyclopentadienyl)ruthenium(III) polymer
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS96503-27-4
- Purity/Analytical Methods: >99.0%
96503-27-4 / 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(3+);chloride
Basic Information
CAS
96503-27-4
Multi CAS
Yes
Molecular Formula
C11H15LrU
Molecular Weight
271.700000
Exact Mass
271.990568
InChI
InChI=1S/C10H15.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;/h1-5H3;1H;/q-1;;+3/p-1
InChIKey
UVBAAWSLQGZGHL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
45.72
TPSA
0.0000
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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