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CAS 350493-08-2 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 350493-08-2

1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-141749
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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: ≥97%
  • 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 350493-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

350493-08-2 / bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium

Standard CAS: 350493-08-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
350493-08-2
Multi CAS
Yes
Molecular Formula
C11F6H17N3O4S2
Molecular Weight
433.400000
Exact Mass
433.056467
InChI
InChI=1S/C9H17N2.C2F6NO4S2/c1-4-5-6-11-8-7-10(3)9(11)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,4-6H2,1-3H3;/q+1;-1
InChIKey
UCCKRVYTJPMHRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
78.56
TPSA
91.19

LogP / Solubility

WLOGP
2.48
MLOGP
2.21
XLogP3
2.48
Consensus LogP
2.39
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-3.6

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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