![CAS 905718-46-9 Phenyl[3-(trifluoromethyl)phenyl]iodonium Trifluoromethanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2413-jpgcontextbwfzdgvyfhjvb3r8mzezmzh8aw1hz2uvanblz3xozjcvagqzlzg5mzixmzqwoti4mzavudi0mtmuanbnfdcwogrlmjnintgwy2rmodllzjy2nde2yje1otkyn2mxzwnhztq0zjczywi0nzrkywiwzgi2y2zjmzkwn2q1zta.jpeg)
CAS RN: 905718-46-9
Phenyl[3-(trifluoromethyl)phenyl]iodonium Trifluoromethanesulfonate
- Product code: SSC-203128
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
905718-46-9 / phenyl-[3-(trifluoromethyl)phenyl]iodanium;trifluoromethanesulfonate
Basic Information
CAS
905718-46-9
Multi CAS
No
Molecular Formula
C14F6H9IO3S
Molecular Weight
498.180000
Exact Mass
497.922130
InChI
InChI=1S/C13H9F3I.CHF3O3S/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11;2-1(3,4)8(5,6)7/h1-9H;(H,5,6,7)/q+1;/p-1
InChIKey
OSSLDNUSYGVAIB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.03
TPSA
57.2
LogP / Solubility
WLOGP
0.89
MLOGP
0.81
XLogP3
0.89
Consensus LogP
0.86
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-5.13
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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iodonium Trifluoromethanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3445-jpgcontextbwfzdgvyfhjvb3r8mzmymjh8aw1hz2uvanblz3xonwuvadg2lzg5mzi3mdk1njq0ndyvvdm0nduuanbnfdfjzjgyodhlztuwmtnmntq1nwuzzddjmgeyytmzytrin2i5y2nkywyyodi1y2rknjjkntewy2e5nde2mmjkzdm.jpeg)
iodonium Trifluoromethanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3446-jpgcontextbwfzdgvyfhjvb3r8mze2odl8aw1hz2uvanblz3xonjevadgzlzg5mzi3mdk2mjk5odivvdm0ndyuanbnfdmzmznkyjexngq4zjk0y2i5mwywntmyythkmza3ndkwzwq5mzi5mtflmgu1mdmzyjyyyjziode2zjnmnty4ytg.jpeg)
