CAS RN: 712354-97-7
1-ETHYLPYRIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251118 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS712354-97-7
- Purity/Analytical Methods: >99.0%
712354-97-7 / bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium
Basic Information
CAS
712354-97-7
Multi CAS
No
Molecular Formula
C9F6H10N2O4S2
Molecular Weight
388.300000
Exact Mass
387.998618
InChI
InChI=1S/C7H10N.C2F6NO4S2/c1-2-8-6-4-3-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H,2H2,1H3;/q+1;-1
InChIKey
GNWJDYQCOZNHPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
65.62
TPSA
86.26
LogP / Solubility
WLOGP
2.05
MLOGP
1.83
XLogP3
2.05
Consensus LogP
1.98
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-3.63
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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