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CAS 329976-74-1 Potassium Trifluoro(2-phenylethyl)borate molecular structure lightbox
CAS RN: 329976-74-1

Potassium Trifluoro(2-phenylethyl)borate

  • Product code: SSC-138809
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 329976-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 3 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

329976-74-1 / potassium trifluoro(2-phenylethyl)boranuide

Standard CAS: 329976-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329976-74-1
Multi CAS
No
Molecular Formula
BC8F3H9K
Molecular Weight
212.060000
Exact Mass
212.038646
InChI
InChI=1S/C8H9BF3.K/c10-9(11,12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
InChIKey
SOZVPVAYKGJPJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
44.03
TPSA
0.0000

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
0.08
Consensus LogP
0.08
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.96

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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