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CAS 411222-01-0 1-HEXYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE molecular structure lightbox
CAS RN: 411222-01-0

1-HEXYL-2,3-DIMETHYLIMIDAZOLIUM BROMIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20260107 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250301 500g Out of stock Inquiry
Batchno.20251231 5g In stock Shenzhen Inquiry
  • Product code: SSC-149532
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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: ≥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 411222-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

411222-01-0 / 1-hexyl-2,3-dimethylimidazol-3-ium bromide

Standard CAS: 411222-01-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
411222-01-0
Multi CAS
Yes
Molecular Formula
BC11H21Rn2
Molecular Weight
261.200000
Exact Mass
260.088810
InChI
InChI=1S/C11H21N2.BrH/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-10H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKey
KTUDCAXDKIVTNY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
54.49
TPSA
8.81

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.69
XLogP3
-0.79
Consensus LogP
-0.76
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.88

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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