CAS RN: 96195-89-0
Diphenyliodonium-2-carboxylate Monohydrate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-211926
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
96195-89-0 / 2-phenyliodoniobenzoate;hydrate
Basic Information
CAS
96195-89-0
Multi CAS
Yes
Molecular Formula
C13H11IO3
Molecular Weight
342.130000
Exact Mass
341.975290
InChI
InChI=1S/C13H9IO2.H2O/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H;1H2
InChIKey
NHCFFVMWVHFFSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.22
TPSA
71.63
LogP / Solubility
WLOGP
-2.65
MLOGP
-2.31
XLogP3
-2.65
Consensus LogP
-2.54
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Bis(2,4,6-trimethylpyridine)iodonium Hexafluorophosphate
- CAS RN: 113119-46-3
- Product Code: SSC-013307
-
-
Ethynyl(phenyl)iodonium Tetrafluoroborate [Ethynylating Reagent]
- CAS RN: 127783-34-0
- Product Code: SSC-035211
-
Trimethylsilylethynyl(phenyl)iodonium Tetrafluoroborate
- CAS RN: 127783-36-2
- Product Code: SSC-035212
-
(5-Fluoro-2-nitrophenyl)(2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate
- CAS RN: 1868173-33-4
- Product Code: SSC-086839
-
[4-Fluoro-3-(trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate
- CAS RN: 1868173-29-8
- Product Code: SSC-086838
![CAS 127783-34-0 Ethynyl(phenyl)iodonium Tetrafluoroborate [Ethynylating Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e0467-jpgcontextbwfzdgvyfhjvb3r8mziznzf8aw1hz2uvanblz3xozwivagq0lzg5mza1mte0mje0nzavrta0njcuanbnfgjjymu5mgi2mzc0yju2yti2ndyxzdbhodhknzhinwjinzcxowm3ztg2mjnkowjin2zjmjqwmdmymja3ngyxogy.jpeg)
iodonium p-Toluenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1111-jpgcontextbwfzdgvyfhjvb3r8mzg2mdn8aw1hz2uvanblz3xoytyvadbllzg5mza3mtg1oda3njyvrjexmteuanbnfdbhnjgynmm2zdbindljowzkyjdiztm3zdhhothjyjc5ywi2zjfkotnjmwuyodc1njhkytfhyzfinmzlodk4nzi.jpeg)