N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester)

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N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester)

N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester) | 2086689-00-9

Catelog Number R14-0058
Category Azides
Molecular Formula C₂₆H₄₈N₄O₁₀
Molecular Weight 576.68
Catalog Number Size Price Quantity
R14-0058 -- $--

Product Introduction

N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-bis(PEG1-t-butyl ester) can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 2-(Azido-PEG3-amido)-1,3-bis(t-butyl ester)
Purity 98%
IUPAC Name tert-butyl 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)NC(=O)CCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C26H48N4O10/c1-25(2,3)39-23(32)8-12-37-19-21(20-38-13-9-24(33)40-26(4,5)6)29-22(31)7-11-34-15-17-36-18-16-35-14-10-28-30-27/h21H,7-20H2,1-6H3,(H,29,31)
InChI Key MFAWTCNLWLJEKI-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 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 27
Exact Mass 576.33704374 g/mol
Monoisotopic Mass 576.33704374 g/mol
Topological Polar Surface Area 142Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 726
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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