CAS RN: 2833773-70-7
Dibenzothiophenium,2,8-bis(trifluoromethoxy)-5-(trifluoromethyl)-1,1,1-trifluoromethanesulfonate(1:1)(ACl)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
- Product code: SSC-129441
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 | Shanghai | Inquiry |
2833773-70-7 / 2,8-bis(trifluoromethoxy)-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Basic Information
CAS
2833773-70-7
Multi CAS
No
Molecular Formula
C16H6F12O5S2
Molecular Weight
570.300000
Exact Mass
569.946504
InChI
InChI=1S/C15H6F9O2S.CHF3O3S/c16-13(17,18)25-7-1-3-11-9(5-7)10-6-8(26-14(19,20)21)2-4-12(10)27(11)15(22,23)24;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)/q+1;/p-1
InChIKey
MBNSTWFNNZPKDH-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
94.35
TPSA
75.66
LogP / Solubility
WLOGP
7.07
MLOGP
6.26
XLogP3
7.07
Consensus LogP
6.8
Log S (ESOL)
-7.97
Class (ESOL)
Insoluble
Log S (Ali)
-9.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
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)
-1.18
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
2.5
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