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CAS 84563-54-2 BIS(4-TERT-BUTYLPHENYL)IODONIUM TRIFLATE molecular structure lightbox
CAS RN: 84563-54-2

BIS(4-TERT-BUTYLPHENYL)IODONIUM TRIFLATE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 100g In stock Shanghai Inquiry
Batchno.20250516 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260611 1g In stock Shanghai Inquiry
Batchno.20250724 250mg In stock Shanghai Inquiry
Batchno.20250121 25g In stock Shanghai Inquiry
Batchno.20250509 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-192101
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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: 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • 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 84563-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

84563-54-2 / bis(4-tert-butylphenyl)iodanium;trifluoromethanesulfonate

Standard CAS: 84563-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84563-54-2
Multi CAS
No
Molecular Formula
C21F3H26IO3S
Molecular Weight
542.400000
Exact Mass
542.059950
InChI
InChI=1S/C20H26I.CHF3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;2-1(3,4)8(5,6)7/h7-14H,1-6H3;(H,5,6,7)/q+1;/p-1
InChIKey
VGZKCAUAQHHGDK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
103.43
TPSA
57.2

LogP / Solubility

WLOGP
2.46
MLOGP
2.21
XLogP3
2.46
Consensus LogP
2.38
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.28

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
2.5

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