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CAS 219718-86-2 POTASSIUM 4-METHYL-BETA-STYRYLTRIFLUOROBORATE molecular structure lightbox
CAS RN: 219718-86-2

POTASSIUM 4-METHYL-BETA-STYRYLTRIFLUOROBORATE

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260418 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250707 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260106 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260117 5g Out of stock Inquiry
  • Product code: starshine_CAS219718-86-2
  • Purity/Analytical Methods: >99.0%
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219718-86-2 / potassium trifluoro-[(E)-2-(4-methylphenyl)ethenyl]boranuide

Standard CAS: 219718-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219718-86-2
Multi CAS
No
Molecular Formula
C9H9BF3K
Molecular Weight
224.070000
Exact Mass
224.038646
SMILES
[B-](/C=C/C1=CC=C(C=C1)C)(F)(F)F.[K+]
InChI
InChI=1S/C9H9BF3.K/c1-8-2-4-9(5-3-8)6-7-10(11,12)13;/h2-7H,1H3;/q-1;+1/b7-6+;
InChIKey
IHPTVBKDBKCIOO-UHDJGPCESA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.29
TPSA
0.0000

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.8

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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