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CAS 75777-87-6 Tris[4,4′-di-tert-butyl-(2,2′)-bipyridine]ruthenium(III) dihexafluorophosphate molecular structure lightbox
CAS RN: 75777-87-6

Tris[4,4′-di-tert-butyl-(2,2′)-bipyridine]ruthenium(III) dihexafluorophosphate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250531 1g In stock Shanghai Inquiry
Batchno.20260605 250mg In stock Shanghai Inquiry
Batchno.20260211 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250820 5g In stock Shanghai Inquiry
  • Product code: SSC-185212
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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: 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 75777-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

75777-87-6 / tris(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

Standard CAS: 75777-87-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75777-87-6
Multi CAS
Yes
Molecular Formula
C54F12H72N6P2Ru
Molecular Weight
1196.200000
Exact Mass
1196.414549
InChI
InChI=1S/3C18H24N2.2F6P.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-7(2,3,4,5)6;/h3*7-12H,1-6H3;;;/q;;;2*-1;+2
InChIKey
FTRGLDHRYZPEQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
75
Aromatic heavy atom count
36
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
281.74
TPSA
77.34

LogP / Solubility

WLOGP
20.98
MLOGP
18.58
XLogP3
20.98
Consensus LogP
20.18
Log S (ESOL)
-20.63
Class (ESOL)
Insoluble
Log S (Ali)
-24.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.21
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)
4.88

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
5.5

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