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CAS 87564-74-7 bis(2,2′-bipyridyl)(dipyrido(3,2-alpha-2′,3′-c)phenazine)ruthenium (II) molecular structure lightbox
CAS RN: 87564-74-7

bis(2,2′-bipyridyl)(dipyrido(3,2-alpha-2′,3′-c)phenazine)ruthenium (II)

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  • Product code: starshine_CAS87564-74-7
  • Purity/Analytical Methods: >99.0%
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87564-74-7 / bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)

Standard CAS: 87564-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87564-74-7
Multi CAS
Yes
Molecular Formula
C38H26N8RU+2
Molecular Weight
695.700000
Exact Mass
696.132383
InChI
InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q;;;+2
InChIKey
YVXNAGNLAPDXJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
46
Rotatable bonds
2
H-bond acceptors
8
Molar refractivity
182.58
TPSA
103.12

LogP / Solubility

WLOGP
8.16
MLOGP
7.24
XLogP3
8.16
Consensus LogP
7.85
Log S (ESOL)
-9.89
Class (ESOL)
Insoluble
Log S (Ali)
-11.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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