CAS RN: 2248620-18-8
potassium trifluoro(2-(trifluoromethyl)benzyl)borate
- Product code: SSC-109973
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 | Shenzhen | Inquiry |
2248620-18-8 / potassium trifluoro-[[2-(trifluoromethyl)phenyl]methyl]boranuide
Basic Information
CAS
2248620-18-8
Multi CAS
No
Molecular Formula
C8H6BF6K
Molecular Weight
266.030000
Exact Mass
266.010381
SMILES
[B-](CC1=CC=CC=C1C(F)(F)F)(F)(F)F.[K+]
InChI
InChI=1S/C8H6BF6.K/c10-8(11,12)7-4-2-1-3-6(7)5-9(13,14)15;/h1-4H,5H2;/q-1;+1
InChIKey
RVZKYGXKFRQHAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
44.23
TPSA
0.0000
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
0.64
Consensus LogP
0.62
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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