CompoundList
Sign in
Screening compounds

Bisdequalinium

Also known as Bisdequalinium ion, Bisdequalinium cation, bis-dequalinium

CAS 16776-40-2Formula C40H58N4+2Molar mass 594.93 g/mol
Get quotes Safety data
Bisdequalinium chemical structure, C40H58N4+2, CAS 16776-40-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16776-40-2
Formula
C40H58N4+2
Molar mass
594.93 g/mol
HS code
293399
Category
Screening compounds

What is Bisdequalinium?

Plain description, key identifiers and synonyms

Bisdequalinium chloride is an aminoquinoline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene
CAS number
16776-40-2
Molecular formula
C40H58N4+2
UNII
N848P5O593
InChIKey
ZFWYZPJOMMIRAM-UHFFFAOYSA-P
InChI
InChI=1S/C40H56N4/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3/p+2
SMILES (canonical and isomeric)
CC1=[N+]2CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)NCCCCCCCCCCNC(=C1)C5=CC=CC=C52)C

Synonyms

  • Bisdequalinium ion
  • Bisdequalinium cation
  • bis-dequalinium
  • N,N'-Decamethylene-N(4),N(4')-decamthylenebis(4-aminoquinaldinium chloride)
  • Quinaldinium, 1,1'-decamethylene-4,4'-(decamethylenediimino)di-, dibromide
  • N(sup 1),N(sup 1)'-Dekamethylen-N(sup 4),N(sup 4)'-dekamethylen-bis-4-amino-chinaldinium
  • 39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
594.93 g/molcalc.
Exact mass
594.4651 Dacalc.
LogP (octanol/water)
9.96calc.
Topological polar surface area
31.82 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
44calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.55calc.
Formal charge
2calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)c1cc[n+]2CCCCCCCCCC[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1

c1ccc2c(c1)c1cc[n+]2CCCCCCCCCC[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1

6 rings, 42 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Bisdequalinium suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Bisdequalinium can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Bisdequalinium price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bisdequalinium is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Bisdequalinium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bisdequalinium, based on the data on this page

What is Bisdequalinium?

Bisdequalinium chloride is an aminoquinoline.

What is the CAS number of Bisdequalinium?

The CAS registry number of Bisdequalinium is 16776-40-2.

What is the molecular formula and weight of Bisdequalinium?

The molecular formula of Bisdequalinium is C40H58N4+2 and its molar mass is 594.93 g/mol.

What is Bisdequalinium used for?

Known uses and roles of Bisdequalinium include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bisdequalinium hazardous?

No GHS hazard classification for Bisdequalinium is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Bisdequalinium?

Bisdequalinium is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bisdequalinium?

Post a free request on CompoundList and suppliers of Bisdequalinium will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bisdequalinium?

Suppliers quote Bisdequalinium on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Bisdequalinium

Get quotes for Bisdequalinium

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Bisdequalinium
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Bisdequalinium with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/bisdequalinium-16776-40-2" title="Bisdequalinium structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293399

Price on request
Free quotes, contact stays private
Get quotes