![CAS 888711-53-3 Potassium trifluoro[(pyrrolidin-1-yl)methyl]borate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888711-53-3.gif)
CAS RN: 888711-53-3
Potassium trifluoro[(pyrrolidin-1-yl)methyl]borate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-200580
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 | Shenzhen | Inquiry |
888711-53-3 / potassium trifluoro(pyrrolidin-1-ylmethyl)boranuide
Basic Information
CAS
888711-53-3
Multi CAS
Yes
Molecular Formula
BC5F3H10KN
Molecular Weight
191.050000
Exact Mass
191.049546
InChI
InChI=1S/C5H10BF3N.K/c7-6(8,9)5-10-3-1-2-4-10;/h1-5H2;/q-1;+1
InChIKey
IPPVCGNMEPSDMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
34.75
TPSA
3.24
LogP / Solubility
WLOGP
-1.53
MLOGP
-1.35
XLogP3
-1.53
Consensus LogP
-1.47
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.13
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)
-4.97
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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