CAS RN: 28277-59-0
Tris(1,10-phenanthroline)cobalt(III) Tris(hexafluorophosphate)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: ICTT3554
- Purity/Analytical Methods: >97.0%(T)
28277-59-0 / cobalt(3+);tris(1,10-phenanthroline);trihexafluorophosphate
Basic Information
CAS
28277-59-0
Multi CAS
No
Molecular Formula
C36H24CoF18N6P3
Molecular Weight
1034.400000
Exact Mass
1034.031981
InChI
InChI=1S/3C12H8N2.Co.3F6P/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;3*1-7(2,3,4,5)6/h3*1-8H;;;;/q;;;+3;3*-1
InChIKey
JYGNLHURFRGGRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
42
H-bond acceptors
6
Molar refractivity
211.84
TPSA
77.34
LogP / Solubility
WLOGP
18.49
MLOGP
16.37
XLogP3
18.49
Consensus LogP
17.78
Log S (ESOL)
-18.39
Class (ESOL)
Insoluble
Log S (Ali)
-21.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.73
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)
4.1
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
7
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