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CAS 404001-48-5 1-Dodecyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 404001-48-5

1-Dodecyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250626 100g In stock Inquiry
Batchno.20260130 1g In stock Inquiry
Batchno.20260513 25g In stock Inquiry
Batchno.20260608 5g In stock Inquiry
  • Product code: SSC-148575
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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: ＞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 404001-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

404001-48-5 / bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium

Standard CAS: 404001-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
404001-48-5
Multi CAS
No
Molecular Formula
C18F6H31N3O4S2
Molecular Weight
531.600000
Exact Mass
531.166018
InChI
InChI=1S/C16H31N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-16H,3-13H2,1-2H3;/q+1;-1
InChIKey
RJCNRVFKCLDBEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
5
Fraction Csp3
0.83
Rotatable bonds
13
H-bond acceptors
5
Molar refractivity
110.76
TPSA
91.19

LogP / Solubility

WLOGP
5.29
MLOGP
4.7
XLogP3
5.29
Consensus LogP
5.09
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
Class (SILICOS-IT)
Insoluble

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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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