CAS RN: 888711-54-4
Potassium (piperidin-1-yl)methyltrifluoroborate
- Product code: SSC-200581
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 |
888711-54-4 / potassium trifluoro(piperidin-1-ylmethyl)boranuide
Basic Information
CAS
888711-54-4
Multi CAS
No
Molecular Formula
BC6F3H12KN
Molecular Weight
205.070000
Exact Mass
205.065196
InChI
InChI=1S/C6H12BF3N.K/c8-7(9,10)6-11-4-2-1-3-5-11;/h1-6H2;/q-1;+1
InChIKey
WFAVOZJLYZWLRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
39.37
TPSA
3.24
LogP / Solubility
WLOGP
-1.14
MLOGP
-1
XLogP3
-1.14
Consensus LogP
-1.09
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very 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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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