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CAS 61545-99-1 1-Methyl-3-n-octylimidazolium Bromide molecular structure lightbox
CAS RN: 61545-99-1

1-Methyl-3-n-octylimidazolium Bromide

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250604 1kg In stock Shanghai Inquiry
Batchno.20251201 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250518 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250507 25g In stock Shanghai, Shandong Inquiry
Batchno.20250519 500g In stock Shanghai Inquiry
Batchno.20260603 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-170471
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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: 100g
  • 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 61545-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

61545-99-1 / 1-methyl-3-octylimidazol-1-ium bromide

Standard CAS: 61545-99-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61545-99-1
Multi CAS
Yes
Molecular Formula
BC12H23Rn2
Molecular Weight
275.230000
Exact Mass
274.104460
InChI
InChI=1S/C12H23N2.BrH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
InChIKey
URVSXZLUUCVGQM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
58.98
TPSA
8.81

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.32
Consensus LogP
-0.31
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-4.63

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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