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CAS 319476-28-3 3-Ethyl-1-vinylimidazolium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 319476-28-3

3-Ethyl-1-vinylimidazolium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-137398
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 319476-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

319476-28-3 / bis(trifluoromethylsulfonyl)azanide;1-ethenyl-3-ethylimidazol-3-ium

Standard CAS: 319476-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
319476-28-3
Multi CAS
No
Molecular Formula
C9F6H11N3O4S2
Molecular Weight
403.300000
Exact Mass
403.009517
InChI
InChI=1S/C7H11N2.C2F6NO4S2/c1-3-8-5-6-9(4-2)7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,5-7H,1,4H2,2H3;/q+1;-1
InChIKey
DFGRLSLTNVNMEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
70
TPSA
91.19

LogP / Solubility

WLOGP
1.96
MLOGP
1.75
XLogP3
1.96
Consensus LogP
1.89
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-3.79

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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