![CAS 26654-97-7 Ethanesulfonyl fluoride, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26654-97-7.gif)
CAS RN: 26654-97-7
Ethanesulfonyl fluoride, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethene
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251020 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS26654-97-7
- Purity/Analytical Methods: >99.0%
26654-97-7 / 1,1,2,2-tetrafluoroethene;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
Basic Information
CAS
26654-97-7
Multi CAS
No
Molecular Formula
C9F18O4S
Molecular Weight
546.130000
Exact Mass
545.922987
SMILES
C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F.C(=C(F)F)(F)F
InChI
InChI=1S/C7F14O4S.C2F4/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23;3-1(4)2(5)6
InChIKey
DHYYUWYUPUOPFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
58.74
TPSA
52.6
LogP / Solubility
WLOGP
6.35
MLOGP
5.63
XLogP3
6.35
Consensus LogP
6.11
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
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
3
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