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CAS 85100-76-1 1-Methyl-3-propylimidazolium Bromide molecular structure lightbox
CAS RN: 85100-76-1

1-Methyl-3-propylimidazolium Bromide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260524 100g In stock Inquiry
Batchno.20251202 25g In stock Inquiry
Batchno.20250126 5g In stock Inquiry
  • Product code: SSC-193142
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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: ＞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 85100-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

85100-76-1 / 1-methyl-3-propylimidazol-1-ium bromide

Standard CAS: 85100-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85100-76-1
Multi CAS
Yes
Molecular Formula
BC7H13Rn2
Molecular Weight
205.100000
Exact Mass
204.026210
InChI
InChI=1S/C7H14N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKey
LXKJXSIVSWFKQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
35.9
TPSA
8.81

LogP / Solubility

WLOGP
-2.27
MLOGP
-2
XLogP3
-2.27
Consensus LogP
-2.18
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.65
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.59

Drug-likeness / Medicinal Chemistry

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

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