CAS RN: 1028141-88-9
(bis(2,2′-Bipyridine-N,N’)triphenylphosphine)-4-aminobutyricacidrutheniumhexafluorophosphatecomplex
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 1mg / 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1028141-88-9
- Purity/Analytical Methods: >99.0%
1028141-88-9 / 4-aminobutanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);triphenylphosphane;hexafluorophosphate
RuBi-GABA | 4-aminobutanoate;2-pyridin-2-ylpyridine;ruthenium(2+);triphenylphosphane;hexafluorophosphate | C42H39F6N5O2P2Ru
Basic Information
CAS
1028141-88-9
Multi CAS
Yes
Molecular Formula
C42H39F6N5O2P2Ru
Molecular Weight
922.800000
Exact Mass
923.152659
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(CC(=O)[O-])CN.F[P-](F)(F)(F)(F)F.[Ru+2]
InChI
InChI=1S/C18H15P.2C10H8N2.C4H9NO2.F6P.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-3-1-2-4(6)7;1-7(2,3,4,5)6;/h1-15H;2*1-8H;1-3,5H2,(H,6,7);;/q;;;;-1;+2/p-1
InChIKey
SWFWLLYVSYURHZ-UHFFFAOYSA-M
Synonyms
RuBi-GABA
4-aminobutanoate;2-pyridin-2-ylpyridine;ruthenium(2+);triphenylphosphane;hexafluorophosphate
C42H39F6N5O2P2Ru
SCHEMBL29676544
DRB14188
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
42
Fraction Csp3
0.07
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
216.95
TPSA
117.71
LogP / Solubility
WLOGP
9.59
MLOGP
8.52
XLogP3
9.59
Consensus LogP
9.23
Log S (ESOL)
-11.61
Class (ESOL)
Insoluble
Log S (Ali)
-14.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.58
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
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
6
