CAS RN: 888711-58-8
Potassium (cyanomethyl)trifluoroborate
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-200582
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 |
888711-58-8 / potassium cyanomethyl(trifluoro)boranuide
Basic Information
CAS
888711-58-8
Multi CAS
No
Molecular Formula
BC2F3H2KN
Molecular Weight
146.950000
Exact Mass
146.986945
InChI
InChI=1S/C2H2BF3N.K/c4-3(5,6)1-2-7;/h1H2;/q-1;+1
InChIKey
IJENQMHWPRCCBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
19.5
TPSA
23.79
LogP / Solubility
WLOGP
-1.64
MLOGP
-1.45
XLogP3
-1.64
Consensus LogP
-1.58
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.62
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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