2 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/184023-77-6.gif)
CAS RN: 184023-77-6
[Ru(phd)3](PF6)2
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-085112
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: >98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >98% | 0 Out of Stock | Beijing | Inquiry |
184023-77-6 / tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);dihexafluorophosphate
Basic Information
CAS
184023-77-6
Multi CAS
No
Molecular Formula
C36H18F12N6O6P2Ru
Molecular Weight
1021.600000
Exact Mass
1021.961485
SMILES
C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1.C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1.C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
InChI
InChI=1S/3C12H6N2O2.2F6P.Ru/c3*15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2
InChIKey
LGAOGZFZNIEFHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
36
H-bond acceptors
12
Molar refractivity
195.52
TPSA
179.76
LogP / Solubility
WLOGP
11.33
MLOGP
10.07
XLogP3
11.33
Consensus LogP
10.91
Log S (ESOL)
-13.73
Class (ESOL)
Insoluble
Log S (Ali)
-16.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.7
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)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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