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CAS 28277-53-4 Tris(2,2′-bipyridine)cobalt(III) Tris(hexafluorophosphate) molecular structure lightbox
CAS RN: 28277-53-4

Tris(2,2′-bipyridine)cobalt(III) Tris(hexafluorophosphate)

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 1g In stock Shanghai Inquiry
Batchno.20251115 200mg In stock Shanghai, Shandong Inquiry
  • Product code: ICTT3256
  • Purity/Analytical Methods: >93.0%(T)
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28277-53-4 / cobalt(3+);tris(2-pyridin-2-ylpyridine);trihexafluorophosphate

Standard CAS: 28277-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28277-53-4
Multi CAS
No
Molecular Formula
C31F18H24N6OP3
Molecular Weight
962.400000
Exact Mass
962.031981
InChI
InChI=1S/3C10H8N2.Co.3F6P/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1
InChIKey
COCURPBAGSBJNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
183.11
TPSA
77.34

LogP / Solubility

WLOGP
16.58
MLOGP
14.68
XLogP3
16.58
Consensus LogP
15.95
Log S (ESOL)
-16.51
Class (ESOL)
Insoluble
Log S (Ali)
-19.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.03
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)
3.18

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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