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CAS 361447-81-6 1-Phenyl-1H-imidazol-3-ium Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 361447-81-6

1-Phenyl-1H-imidazol-3-ium Trifluoromethanesulfonate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260118 1g In stock Inquiry
Batchno.20250409 25g In stock Inquiry
Batchno.20260123 5g In stock Inquiry
  • Product code: SSC-143287
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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 361447-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

361447-81-6 / 3-phenyl-1H-imidazol-3-ium;trifluoromethanesulfonate

Standard CAS: 361447-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
361447-81-6
Multi CAS
Yes
Molecular Formula
C10F3H9N2O3S
Molecular Weight
294.250000
Exact Mass
294.028598
InChI
InChI=1S/C9H8N2.CHF3O3S/c1-2-4-9(5-3-1)11-7-6-10-8-11;2-1(3,4)8(5,6)7/h1-8H;(H,5,6,7)
InChIKey
FKGZYFHAFBWWPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.08
TPSA
76.87

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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