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CAS 342789-81-5 1-Butyl-3-methylimidazolium Methanesulfonate molecular structure lightbox
CAS RN: 342789-81-5

1-Butyl-3-methylimidazolium Methanesulfonate

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 1g In stock Shanghai Inquiry
Batchno.20260620 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20250702 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 25g In stock Shanghai, Shandong Inquiry
Batchno.20250203 5g In stock Shanghai Inquiry
  • Product code: SSC-140573
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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: 1g
  • 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 342789-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

342789-81-5 / 1-butyl-3-methylimidazol-3-ium;methanesulfonate

Standard CAS: 342789-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342789-81-5
Multi CAS
No
Molecular Formula
C9H18N2O3S
Molecular Weight
234.320000
Exact Mass
234.103814
InChI
InChI=1S/C8H15N2.CH4O3S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
PUHVBRXUKOGSBC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
56.14
TPSA
66.01

LogP / Solubility

WLOGP
0.27
MLOGP
0.25
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.95

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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