CAS RN: 79151-78-3
Tris(2,2′-bipyridine)cobalt(II) Bis(hexafluorophosphate)
- Product code: SSC-188363
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
79151-78-3 / cobalt(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
Basic Information
CAS
79151-78-3
Multi CAS
No
Molecular Formula
C31F12H24N6OP2
Molecular Weight
817.400000
Exact Mass
817.067800
InChI
InChI=1S/3C10H8N2.Co.2F6P/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*1-7(2,3,4,5)6/h3*1-8H;;;/q;;;+2;2*-1
InChIKey
IDXASOGRZNYSPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
169.54
TPSA
77.34
LogP / Solubility
WLOGP
13.19
MLOGP
11.68
XLogP3
13.19
Consensus LogP
12.69
Log S (ESOL)
-13.54
Class (ESOL)
Insoluble
Log S (Ali)
-15.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.28
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)
1.66
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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