![CAS 1392221-69-0 Tris[2-(1H-pyrazol-1-yl)pyridine]cobalt(II) Bis(hexafluorophosphate) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3361-jpgcontextbwfzdgvyfhjvb3r8ndu3njl8aw1hz2uvanblz3xongqvadmxlzg5mzi3mdu0mzu2nzgvvdmznjeuanbnfdzmnmu3n2y0mwriyzc1mwzlowe0odqyy2y2yjdlmjezymnlmmzjmddkmgmxnzc4ztk3zwrlzjg5ogm5yjiwnda.jpeg)
CAS RN: 1392221-69-0
Tris[2-(1H-pyrazol-1-yl)pyridine]cobalt(II) Bis(hexafluorophosphate)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTT3361
- Purity/Analytical Methods: >98.0%(HPLC)
1392221-69-0 / cobalt(2+);tris(2-pyrazol-1-ylpyridine);dihexafluorophosphate
Basic Information
CAS
1392221-69-0
Multi CAS
No
Molecular Formula
C24H21CoF12N9P2
Molecular Weight
784.300000
Exact Mass
784.053547
SMILES
C1=CC=NC(=C1)N2C=CC=N2.C1=CC=NC(=C1)N2C=CC=N2.C1=CC=NC(=C1)N2C=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2]
InChI
InChI=1S/3C8H7N3.Co.2F6P/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;;2*1-7(2,3,4,5)6/h3*1-7H;;;/q;;;+2;2*-1
InChIKey
MLELXRWOHQBFBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
33
Rotatable bonds
3
H-bond acceptors
9
Molar refractivity
151.21
TPSA
92.13
LogP / Solubility
WLOGP
10.56
MLOGP
9.37
XLogP3
10.56
Consensus LogP
10.16
Log S (ESOL)
-11.67
Class (ESOL)
Insoluble
Log S (Ali)
-13.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.89
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
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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