CAS RN: 301206-84-8
TRIS(BATHOPHENANTHROLINEDISULFONATE)RUTH
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS301206-84-8
- Purity/Analytical Methods: >99.0%
301206-84-8 / tetrasodium;4-(1,10-phenanthrolin-4-yl)benzenesulfonate;ruthenium(2+)
Basic Information
CAS
301206-84-8
Multi CAS
Yes
Molecular Formula
C18H11N2NA4O3RUS+5
Molecular Weight
528.400000
Exact Mass
528.912456
InChI
InChI=1S/C18H12N2O3S.4Na.Ru/c21-24(22,23)14-6-3-12(4-7-14)15-9-11-20-18-16(15)8-5-13-2-1-10-19-17(13)18;;;;;/h1-11H,(H,21,22,23);;;;;/q;4*+1;+2/p-1
InChIKey
OSJVCLPEDWPHNS-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
90.44
TPSA
82.98
LogP / Solubility
WLOGP
-8.63
MLOGP
-7.56
XLogP3
-8.63
Consensus LogP
-8.27
Log S (ESOL)
1.94
Class (ESOL)
Highly soluble
Log S (Ali)
2.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.83
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)
-12.07
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
3
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