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CAS 1007390-44-4 1-butyl-3-vinyliMidazoliuM bis((trifluoroMpropyl)sulfonyl)iMide molecular structure lightbox
CAS RN: 1007390-44-4

1-butyl-3-vinyliMidazoliuM bis((trifluoroMpropyl)sulfonyl)iMide

  • Product code: SSC-001440
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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: 25g
  • 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 1007390-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1007390-44-4 / bis(trifluoromethylsulfonyl)azanide;1-butyl-3-ethenylimidazol-1-ium

1-Butyl-3-vinylimidazolium bis(trifluoromethylsulfonyl)imide | RefChem:431074 | 801-332-6

Standard CAS: 1007390-44-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1007390-44-4
Multi CAS
Yes
Molecular Formula
C11H15F6N3O4S2
Molecular Weight
431.400000
Exact Mass
431.040817
SMILES
CCCC[N+]1=CN(C=C1)C=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H15N2.C2F6NO4S2/c1-3-5-6-11-8-7-10(4-2)9-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4,7-9H,2-3,5-6H2,1H3;/q+1;-1
InChIKey
ALDIECUKIYBNLB-UHFFFAOYSA-N
Synonyms
1-Butyl-3-vinylimidazolium bis(trifluoromethylsulfonyl)imide RefChem:431074 801-332-6 3-Butyl-1-vinyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide MFCD18251312

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
79.23
TPSA
91.19

LogP / Solubility

WLOGP
2.74
MLOGP
2.44
XLogP3
2.74
Consensus LogP
2.64
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
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
Yes
Log Kp (skin permeation)
-3.41

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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