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Screening compounds

DBCO-PEG3-NHS ester

Also known as 2,5-Dioxo-1-pyrrolidinyl 17-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-14,17-dioxo-4,7,10-trioxa-13-azaheptadecanoate

CAS 2163772-16-3Formula C32H35N3O9Molar mass 605.64 g/mol
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DBCO-PEG3-NHS ester chemical structure, C32H35N3O9, CAS 2163772-16-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2163772-16-3
Formula
C32H35N3O9
Molar mass
605.64 g/mol
HS code
293379
Category
Screening compounds

What is DBCO-PEG3-NHS ester?

Plain description, key identifiers and synonyms

DBCO-PEG3-NHS ester is a chemical substance with the molecular formula C32H35N3O9 and a molar mass of 605.64 g/mol. Its CAS registry number is 2163772-16-3. The IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CAS number
2163772-16-3
Molecular formula
C32H35N3O9
MDL number
MFCD34470119
InChIKey
BJADYBKWDBVKHO-UHFFFAOYSA-N
InChI
InChI=1S/C32H35N3O9/c36-28(11-12-29(37)34-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)34)33-16-18-42-20-22-43-21-19-41-17-15-32(40)44-35-30(38)13-14-31(35)39/h1-8H,11-23H2,(H,33,36)
SMILES (canonical and isomeric)
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Synonyms

  • 2,5-Dioxo-1-pyrrolidinyl 17-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-14,17-dioxo-4,7,10-trioxa-13-azaheptadecanoate

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
605.64 g/molcalc.
Exact mass
605.2373 Dacalc.
LogP (octanol/water)
1.88calc.
Topological polar surface area
140.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
16calc.
Heavy atoms
44calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

4 rings, 44 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

DBCO-PEG3-NHS ester suppliers

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Where suppliers are based

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DBCO-PEG3-NHS ester price

Indicative price range per kg from live supplier offers

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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 DBCO-PEG3-NHS ester is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for DBCO-PEG3-NHS ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about DBCO-PEG3-NHS ester, based on the data on this page

What is DBCO-PEG3-NHS ester?

DBCO-PEG3-NHS ester is a chemical substance with the molecular formula C32H35N3O9 and a molar mass of 605.64 g/mol. Its CAS registry number is 2163772-16-3.

What is the CAS number of DBCO-PEG3-NHS ester?

The CAS registry number of DBCO-PEG3-NHS ester is 2163772-16-3.

What is the molecular formula and weight of DBCO-PEG3-NHS ester?

The molecular formula of DBCO-PEG3-NHS ester is C32H35N3O9 and its molar mass is 605.64 g/mol.

What is DBCO-PEG3-NHS ester used for?

Known uses and roles of DBCO-PEG3-NHS ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is DBCO-PEG3-NHS ester hazardous?

No GHS hazard classification for DBCO-PEG3-NHS ester 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 DBCO-PEG3-NHS ester?

DBCO-PEG3-NHS ester is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy DBCO-PEG3-NHS ester?

CompoundList lists 1 supplier of DBCO-PEG3-NHS ester 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 DBCO-PEG3-NHS ester?

Suppliers quote DBCO-PEG3-NHS ester 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-PEG3-NHS ester

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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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