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CAS 178233-72-2 4-Isopropyl-4′-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate molecular structure lightbox
CAS RN: 178233-72-2

4-Isopropyl-4′-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100g In stock Shanghai Inquiry
Batchno.20260330 1g In stock Shanghai Inquiry
Batchno.20250723 25g In stock Shanghai Inquiry
Batchno.20250813 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-078616
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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
  • 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 178233-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

178233-72-2 / (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

Standard CAS: 178233-72-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
178233-72-2
Multi CAS
No
Molecular Formula
C40H18BF20I
Molecular Weight
1016.300000
Exact Mass
1016.022690
SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C24BF20.C16H18I/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h;4-12H,1-3H3/q-1;+1
InChIKey
MJDBKUFRQPPWGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
21
Molar refractivity
178.32
TPSA
0.0000

LogP / Solubility

WLOGP
7.09
MLOGP
6.34
XLogP3
7.09
Consensus LogP
6.84
Log S (ESOL)
-10.58
Class (ESOL)
Insoluble
Log S (Ali)
-13.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.99
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)
-3.88

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
5.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H312: Harmful in contact with skin [Warning Acute toxicity, dermal] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P270, P273, P280, P301+P317, P302+P352, P317, P319, P321, P330, P362+P364, P391, and P501

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