CAS 85100-78-3 1-Hexyl-3-methylimidazolium Bromide molecular structure

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CAS RN: 85100-78-3

1-Hexyl-3-methylimidazolium Bromide

Product code: SSC-193144

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 1g, 5g, 10g, 25g, 100g
Available purity: ≥95%
Inventory rows with stock: 2
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 85100-78-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	5 In Stock	Hong Kong	Inquiry
5g	≥95%	2 In Stock	Shenzhen	Inquiry
10g	≥95%	0 Out of Stock	Shanghai	Inquiry
25g	≥95%	0 Out of Stock	Shanghai	Inquiry
100g	≥95%	0 Out of Stock	Shenzhen	Inquiry

85100-78-3 / 1-hexyl-3-methylimidazol-3-ium bromide

Standard CAS: 85100-78-3 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

85100-78-3

Multi CAS

Yes

Molecular Formula

BC10H19Rn2

Molecular Weight

247.180000

Exact Mass

246.073160

InChI

InChI=1S/C10H19N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1

InChIKey

BGSUDDILQRFOKZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.7

Rotatable bonds

H-bond acceptors

Molar refractivity

49.75

TPSA

8.81

LogP / Solubility

WLOGP

-1.1

MLOGP

-0.97

XLogP3

-1.1

Consensus LogP

-1.06

Log S (ESOL)

-0.63

Class (ESOL)

Very soluble

Log S (Ali)

-0.79

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.95

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.01

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 85100-78-3

This compound is commonly used in materials science and advanced materials development, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 85100-78-3 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Store under inert gas. Avoid: Hygroscopic. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.