DBCO-PEG2-amine

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DBCO-PEG2-amine

DBCO-PEG2-amine | 2250216-96-5

Catalog Number R01-0406
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₂₅H₂₉N₃O₄
Molecular Weight 435.52
Catalog Number Size Price Quantity
R01-0406 -- $--

Product Introduction

DBCO-PEG2-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG2-amine can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms DBCO-PEG2-amine TFA salt
Purity 98%
IUPAC Name N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCN
InChI InChI=1S/C25H29N3O4/c26-13-15-31-17-18-32-16-14-27-24(29)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19,26H2,(H,27,29)
InChI Key ILEXOUGGKQHBOX-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 435.21580641 g/mol
Monoisotopic Mass 435.21580641 g/mol
Topological Polar Surface Area 93.9Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 671
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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