[email protected]
CAS 139139-80-3 Bis(2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 139139-80-3

Bis(2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250318 1g In stock Inquiry
Batchno.20250423 25g In stock Inquiry
Batchno.20250102 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250120 200mg / 1g / 5g Confirm by inquiry Chongqing 8-10 business days Inquiry
Batchno.20260324 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260303 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-049440
GET A QUOTE
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, 10g, 25g, 0.25g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 139139-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Hong Kong Inquiry
25g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 0 Out of Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry

139139-80-3 / bis(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate

Standard CAS: 139139-80-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139139-80-3
Multi CAS
No
Molecular Formula
C19H22F3IO3S
Molecular Weight
514.300000
Exact Mass
514.028650
SMILES
CC1=CC(=C(C(=C1)C)[I+]C2=C(C=C(C=C2C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C18H22I.CHF3O3S/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;2-1(3,4)8(5,6)7/h7-10H,1-6H3;(H,5,6,7)/q+1;/p-1
InChIKey
OAMGQISBZWPZNN-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
94.45
TPSA
57.2

LogP / Solubility

WLOGP
1.72
MLOGP
1.55
XLogP3
1.72
Consensus LogP
1.66
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly 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)
-4.64

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us