CAS RN: 66178-41-4
TRIFLUOROMETHANESULFONIC ACID-D
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250313 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS66178-41-4
- Purity/Analytical Methods: >99.0%
66178-41-4 / deuterio trifluoromethanesulfonate
Basic Information
CAS
66178-41-4
Multi CAS
Yes
Molecular Formula
CF3HO3S
Molecular Weight
151.090000
Exact Mass
150.966126
InChI
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)/i/hD
InChIKey
ITMCEJHCFYSIIV-DYCDLGHISA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
17.6
TPSA
54.37
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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