CAS RN: 247129-85-7
(2-Bromoethyl)diphenylsulfonium Trifluoromethanesulfonate
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260211 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251223 | 25g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250416 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260324 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250128 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-119715
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, 100g, 500g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 100g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 500g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
247129-85-7 / 2-bromoethyl(diphenyl)sulfanium;trifluoromethanesulfonate
Basic Information
CAS
247129-85-7
Multi CAS
No
Molecular Formula
C15H14BrF3O3S2
Molecular Weight
443.300000
Exact Mass
441.951980
SMILES
C1=CC=C(C=C1)[S+](CCBr)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C14H14BrS.CHF3O3S/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3,4)8(5,6)7/h1-10H,11-12H2;(H,5,6,7)/q+1;/p-1
InChIKey
SAXNFOVPRAUGNK-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
91.19
TPSA
57.2
LogP / Solubility
WLOGP
4.17
MLOGP
3.7
XLogP3
4.17
Consensus LogP
4.01
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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