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CAS 233664-53-4 Potassium Allyltrifluoroborate molecular structure lightbox
CAS RN: 233664-53-4

Potassium Allyltrifluoroborate

  • Product code: SSC-113092
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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, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 233664-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

233664-53-4 / potassium trifluoro(prop-2-enyl)boranuide

Standard CAS: 233664-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
233664-53-4
Multi CAS
No
Molecular Formula
C3H5BF3K
Molecular Weight
147.980000
Exact Mass
148.007346
SMILES
[B-](CC=C)(F)(F)F.[K+]
InChI
InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2H,1,3H2;/q-1;+1
InChIKey
TVPZAMJXLCDMIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
24.08
TPSA
0.0000

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.87
XLogP3
-0.98
Consensus LogP
-0.94
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.32

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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