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CAS 99257-94-0 1-Methylimidazole Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 99257-94-0

1-Methylimidazole Trifluoromethanesulfonate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260409 25g In stock Shanghai Inquiry
Batchno.20260527 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-213061
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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 99257-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

99257-94-0 / 1-methylimidazole;trifluoromethanesulfonic acid

Standard CAS: 99257-94-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99257-94-0
Multi CAS
Yes
Molecular Formula
C5F3H7N2O3S
Molecular Weight
232.180000
Exact Mass
232.012948
InChI
InChI=1S/C4H6N2.CHF3O3S/c1-6-3-2-5-4-6;2-1(3,4)8(5,6)7/h2-4H,1H3;(H,5,6,7)
InChIKey
QSIFOTQDNVCTTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.81
TPSA
72.19

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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
No
Synthetic Accessibility
1.5

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