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CAS 164357-77-1 Ruthenium(2+), bis(2,2′-bipyridine-κN1,κN1′)(4-ethynyl-2,2′-bipyridine-κN1,κN1′)-, (OC-6-33)-, hexafluorophosphate(1-) (1:2) molecular structure lightbox
CAS RN: 164357-77-1

Ruthenium(2+), bis(2,2′-bipyridine-κN1,κN1′)(4-ethynyl-2,2′-bipyridine-κN1,κN1′)-, (OC-6-33)-, hexafluorophosphate(1-) (1:2)

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 100mg In stock Shanghai Inquiry
Batchno.20250225 250mg Out of stock Inquiry
Batchno.20250326 50mg In stock Shanghai Inquiry
  • Product code: SSC-071779
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 164357-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

164357-77-1 / 4-ethynyl-2-pyridin-2-ylpyridine;pyridine;2H-pyridin-2-ide;ruthenium(3+);dihexafluorophosphate

Standard CAS: 164357-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
164357-77-1
Multi CAS
No
Molecular Formula
C22H17F12N4P2Ru
Molecular Weight
728.400000
Exact Mass
728.978024
SMILES
C#CC1=CC(=NC=C1)C2=CC=CC=N2.C1=CC=NC=C1.C1=CC=N[C-]=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3]
InChI
InChI=1S/C12H8N2.C5H5N.C5H4N.2F6P.Ru/c1-2-10-6-8-14-12(9-10)11-5-3-4-7-13-11;2*1-2-4-6-5-3-1;2*1-7(2,3,4,5)6;/h1,3-9H;1-5H;1-4H;;;/q;;3*-1;+3
InChIKey
CFKWLFFBBAAMKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
129.85
TPSA
51.56

LogP / Solubility

WLOGP
10.85
MLOGP
9.61
XLogP3
10.85
Consensus LogP
10.44
Log S (ESOL)
-11.56
Class (ESOL)
Insoluble
Log S (Ali)
-13.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.54

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
4.5

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