TCO-PEG3-NHS ester

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TCO-PEG3-NHS ester

TCO-PEG3-NHS ester | 2141981-88-4

Catalog Number R15-0046
Category TCO
Molecular Formula C₂₂H₃₄N₂O₉
Molecular Weight 470.51
Catalog Number Size Price Quantity
R15-0046 -- $--

Product Introduction

TCO-PEG3-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG3-NHS ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 2,5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-oate; (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate; 2,5-dioxopyrrolidin-1-yl 3-(2-{2-[2-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)ethoxy]ethoxy}ethoxy)propanoate
Purity 95%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI InChI=1S/C22H34N2O9/c25-19-8-9-20(26)24(19)33-21(27)10-12-29-14-16-31-17-15-30-13-11-23-22(28)32-18-6-4-2-1-3-5-7-18/h1-2,18H,3-17H2,(H,23,28)/b2-1-
InChI Key BLPWLRIVXKTLNU-UPHRSURJSA-N
Solubility In DMSO: 100 mg/mL (212.54 mM; Need ultrasonic)
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 16
Exact Mass 470.22643067 g/mol
Monoisotopic Mass 470.22643067 g/mol
Topological Polar Surface Area 130Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 652
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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