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CAS 61546-00-7 1-Dodecyl-3-methylimidazolium Bromide molecular structure lightbox
CAS RN: 61546-00-7

1-Dodecyl-3-methylimidazolium Bromide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250427 100g In stock Guangdong, Hebei Inquiry
Batchno.20250226 25g In stock Shandong, Chongqing Inquiry
Batchno.20250407 500g Out of stock 5-7 business days Inquiry
Batchno.20250208 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-170472
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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 61546-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

61546-00-7 / 1-dodecyl-3-methylimidazol-3-ium bromide

Standard CAS: 61546-00-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61546-00-7
Multi CAS
Yes
Molecular Formula
BC16H31Rn2
Molecular Weight
331.330000
Exact Mass
330.167060
InChI
InChI=1S/C16H31N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;/h14-16H,3-13H2,1-2H3;1H/q+1;/p-1
InChIKey
QWLSTCVUGYAKLE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.81
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
77.45
TPSA
8.81

LogP / Solubility

WLOGP
1.24
MLOGP
1.1
XLogP3
1.24
Consensus LogP
1.19
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-3.86

Drug-likeness / Medicinal Chemistry

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

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