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CAS 460345-16-8 1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 460345-16-8

1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250408 100g Out of stock Inquiry
Batchno.20251119 25g In stock Inquiry
Batchno.20250412 5g In stock Inquiry
  • Product code: SSC-153609
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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 460345-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

460345-16-8 / 1-hexyl-3-methylimidazol-3-ium;trifluoromethanesulfonate

Standard CAS: 460345-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
460345-16-8
Multi CAS
No
Molecular Formula
C11F3H19N2O3S
Molecular Weight
316.340000
Exact Mass
316.106848
InChI
InChI=1S/C10H19N2.CHF3O3S/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)8(5,6)7/h8-10H,3-7H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey
RABFGPMWVQNDHI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
65.5
TPSA
66.01

LogP / Solubility

WLOGP
1.94
MLOGP
1.72
XLogP3
1.94
Consensus LogP
1.87
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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