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Heterocyclic building blocks

Cy5 DBCO

Also known as Cy5 DBCO (chloride), Cy5 DBCO chloride

CAS 2182601-72-3Formula C50H53ClN4O2Molar mass 777.45 g/mol
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Cy5 DBCO chemical structure, C50H53ClN4O2, CAS 2182601-72-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2182601-72-3
Formula
C50H53ClN4O2
Molar mass
777.45 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Cy5 DBCO?

Plain description, key identifiers and synonyms

Cy5 DBCO is a chemical substance with the molecular formula C50H53ClN4O2 and a molar mass of 777.45 g/mol. Its CAS registry number is 2182601-72-3. The IUPAC name is N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide chloride
CAS number
2182601-72-3
Molecular formula
C50H53ClN4O2
InChIKey
HWIXBRHDYGXXEQ-UHFFFAOYSA-N
InChI
InChI=1S/C50H52N4O2.ClH/c1-49(2)40-23-14-17-26-43(40)52(5)45(49)28-8-6-9-29-46-50(3,4)41-24-15-18-27-44(41)53(46)35-19-7-10-30-47(55)51-34-33-48(56)54-36-39-22-12-11-20-37(39)31-32-38-21-13-16-25-42(38)54;/h6,8-9,11-18,20-29H,7,10,19,30,33-36H2,1-5H3;1H
Canonical SMILES
C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc43)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-]
Isomeric SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.[Cl-]

Synonyms

  • Cy5 DBCO (chloride)
  • Cy5 DBCO chloride

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
777.45 g/molcalc.
Exact mass
776.3857 Dacalc.
LogP (octanol/water)
6.5calc.
Topological polar surface area
55.66 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
12calc.
Heavy atoms
57calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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, O=C(CCCCCN1C(=CC=CC=CC2=Nc3ccccc3C2)Cc2ccccc21)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21

O=C(CCCCCN1C(=CC=CC=CC2=Nc3ccccc3C2)Cc2ccccc21)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21

7 rings, 51 atoms.

9 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.

Cy5 DBCO suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Cy5 DBCO 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.

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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 Cy5 DBCO 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 Cy5 DBCO is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cy5 DBCO, based on the data on this page

What is Cy5 DBCO?

Cy5 DBCO is a chemical substance with the molecular formula C50H53ClN4O2 and a molar mass of 777.45 g/mol. Its CAS registry number is 2182601-72-3.

What is the CAS number of Cy5 DBCO?

The CAS registry number of Cy5 DBCO is 2182601-72-3.

What is the molecular formula and weight of Cy5 DBCO?

The molecular formula of Cy5 DBCO is C50H53ClN4O2 and its molar mass is 777.45 g/mol.

What is Cy5 DBCO used for?

Known uses and roles of Cy5 DBCO include building blocks in research and laboratory.

Is Cy5 DBCO hazardous?

No GHS hazard classification for Cy5 DBCO 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 Cy5 DBCO?

Cy5 DBCO 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 Cy5 DBCO?

CompoundList lists 2 suppliers of Cy5 DBCO in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cy5 DBCO?

Suppliers quote Cy5 DBCO 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 Cy5 DBCO

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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