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CAS 105560-52-9 Potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate molecular structure lightbox
CAS RN: 105560-52-9

Potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250531 1g In stock Shanghai Inquiry
Batchno.20260304 250mg In stock Shanghai Inquiry
Batchno.20250222 50mg In stock Shanghai Inquiry
Batchno.20260523 5g Out of stock Inquiry
  • Product code: SSC-007277
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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
  • Available purity: ＞97%
  • 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 105560-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

105560-52-9 / potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate | potassium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide | MFCD00077934

Standard CAS: 105560-52-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105560-52-9
Multi CAS
Yes
Molecular Formula
C32H12BF24K
Molecular Weight
902.300000
Exact Mass
902.028588
SMILES
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[K+]
InChI
InChI=1S/C32H12BF24.K/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
InChIKey
DGEVYOMQOPNBCY-UHFFFAOYSA-N
Synonyms
Potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate potassium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide MFCD00077934 Potassiumtetrakis[3,5-bis(trifluoromethyl)phenyl]borate SCHEMBL597952

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
25
Molar refractivity
150.07
TPSA
0.0000

LogP / Solubility

WLOGP
8.22
MLOGP
7.32
XLogP3
8.22
Consensus LogP
7.92
Log S (ESOL)
-10.65
Class (ESOL)
Insoluble
Log S (Ali)
-12.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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