CompoundList
Sign in
Heterocyclic compounds

DBCO-Cy3

Also known as Sulfo-Cy3 DBCO

CAS 1782950-79-1Formula C50H54N4O11S3Molar mass 983.20 g/molEC 998-817-9
GHS signal word: Warning. Pictograms: Harmful or irritant
Get quotes Safety data
DBCO-Cy3 chemical structure, C50H54N4O11S3, CAS 1782950-79-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1782950-79-1
Formula
C50H54N4O11S3
Molar mass
983.20 g/mol
EC number
998-817-9
HS code
293399
Category
Heterocyclic compounds

What is DBCO-Cy3?

Plain description, key identifiers and synonyms

DBCO-Cy3 is a chemical substance with the molecular formula C50H54N4O11S3 and a molar mass of 983.20 g/mol. Its CAS registry number is 1782950-79-1. The IUPAC name is 3-[2-[(E,3E)-3-[1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[2-[(E,3E)-3-[1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate
CAS number
1782950-79-1
EC number
998-817-9
Molecular formula
C50H54N4O11S3
InChIKey
ALLGTQOHAQKUOH-UHFFFAOYSA-N
InChI
InChI=1S/C50H54N4O11S3/c1-49(2)40-32-38(67(60,61)62)23-25-43(40)52(45(49)18-12-19-46-50(3,4)41-33-39(68(63,64)65)24-26-44(41)53(46)30-13-31-66(57,58)59)29-11-5-6-20-47(55)51-28-27-48(56)54-34-37-16-8-7-14-35(37)21-22-36-15-9-10-17-42(36)54/h7-10,12,14-19,23-26,32-33H,5-6,11,13,20,27-31,34H2,1-4H3,(H3-,51,55,57,58,59,60,61,62,63,64,65)
Canonical SMILES
CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)O)cc3C2(C)C)N(CCCCCC(=O)NCCC(=O)N2Cc3ccccc3C#Cc3ccccc32)c2ccc(S(=O)(=O)O)cc21
Isomeric SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)[O-])C

Synonyms

  • Sulfo-Cy3 DBCO

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
983.20 g/molcalc.
Exact mass
982.2951 Dacalc.
LogP (octanol/water)
6.74calc.
Topological polar surface area
221.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
17calc.
Heavy atoms
68calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
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, O=C(CCCCCN1C(=CC=CC2=Nc3ccccc3C2)Cc2ccccc21)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21

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

7 rings, 49 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

DBCO-Cy3 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 DBCO-Cy3 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

DBCO-Cy3 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 DBCO-Cy3 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 DBCO-Cy3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about DBCO-Cy3, based on the data on this page

What is DBCO-Cy3?

DBCO-Cy3 is a chemical substance with the molecular formula C50H54N4O11S3 and a molar mass of 983.20 g/mol. Its CAS registry number is 1782950-79-1.

What is the CAS number of DBCO-Cy3?

The CAS registry number of DBCO-Cy3 is 1782950-79-1.

What is the molecular formula and weight of DBCO-Cy3?

The molecular formula of DBCO-Cy3 is C50H54N4O11S3 and its molar mass is 983.20 g/mol.

Is DBCO-Cy3 hazardous?

DBCO-Cy3 carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of DBCO-Cy3?

DBCO-Cy3 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 DBCO-Cy3?

Post a free request on CompoundList and suppliers of DBCO-Cy3 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of DBCO-Cy3?

Suppliers quote DBCO-Cy3 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 DBCO-Cy3

Get quotes for DBCO-Cy3

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell DBCO-Cy3
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 DBCO-Cy3 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/dbco-cy3-1782950-79-1" title="DBCO-Cy3 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 Heterocyclic compounds or HS code 293399

Price on request
Free quotes, contact stays private
Get quotes