CAS RN: 60828-37-7
Dichloridebis(1,10-phenanthroline)(2,2′-bipyridine)ruthenium(II)
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS60828-37-7
- Purity/Analytical Methods: >99.0%
60828-37-7 / bis(1,10-phenanthroline);2-pyridin-2-ylpyridine;ruthenium(2+);chloride
Basic Information
CAS
60828-37-7
Multi CAS
Yes
Molecular Formula
C34H24CLN6RU
Molecular Weight
653.100000
Exact Mass
653.079438
InChI
InChI=1S/2C12H8N2.C10H8N2.ClH.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-8H;1-8H;1H;/q;;;;+2/p-1
InChIKey
HGKWXGDGCGMDCZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
40
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
161.56
TPSA
77.34
LogP / Solubility
WLOGP
4.71
MLOGP
4.2
XLogP3
4.71
Consensus LogP
4.54
Log S (ESOL)
-7.5
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.94
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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