CAS RN: 68569-14-2
Tetrakis(acetonitrile)palladium(II) Bis(trifluoromethanesulfonate)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-178303
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
68569-14-2 / tetrakis(acetonitrile);palladium(2+);bis(trifluoromethanesulfonate)
Basic Information
CAS
68569-14-2
Multi CAS
Yes
Molecular Formula
C10Ds2F6H12N4O6P
Molecular Weight
568.800000
Exact Mass
567.913730
InChI
InChI=1S/4C2H3N.2CHF3O3S.Pd/c4*1-2-3;2*2-1(3,4)8(5,6)7;/h4*1H3;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKey
KXRMHIBEZBOSNG-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.6
H-bond acceptors
10
Molar refractivity
76.65
TPSA
209.56
LogP / Solubility
WLOGP
2.22
MLOGP
2
XLogP3
2.22
Consensus LogP
2.15
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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