CAS RN: 30678-36-5
Potassium 2-(trifluoromethyl)phenyltrifluoroborate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS30678-36-5
- Purity/Analytical Methods: >99.0%
30678-36-5 / potassium trifluoro-[2-(trifluoromethyl)phenyl]boranuide
Basic Information
CAS
30678-36-5
Multi CAS
No
Molecular Formula
BC7F6H4K
Molecular Weight
252.010000
Exact Mass
251.994731
InChI
InChI=1S/C7H4BF6.K/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;/h1-4H;/q-1;+1
InChIKey
XNUIEDDINMFMMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
40.16
TPSA
0.0000
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.2
XLogP3
-0.24
Consensus LogP
-0.23
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-4.42
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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