Azido-PEG3-S-PEG4-t-butyl ester

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Azido-PEG3-S-PEG4-t-butyl ester

Azido-PEG3-S-PEG4-t-butyl ester | 2055041-19-3

Catalog Number R14-0075
Category Azides
Molecular Formula C₂₃H₄₅N₃O₉S
Molecular Weight 539.68
Catalog Number Size Price Quantity
R14-0075 -- $--

Product Introduction

Azido-PEG3-S-PEG4-t-butyl ester is a polyethylene glycol (PEG)-based PROTAC linker. Azido-PEG3-S-PEG4-t-butyl ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms tert-butyl 1-azido-3,6,9,15,18,21,24-heptaoxa-12-thiaheptacosan-27-oate
Purity 98%
IUPAC Name tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCSCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C23H45N3O9S/c1-23(2,3)35-22(27)4-6-28-8-10-30-12-13-32-15-17-34-19-21-36-20-18-33-16-14-31-11-9-29-7-5-25-26-24/h4-21H2,1-3H3
InChI Key UPJKMGHIPNYNEY-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 29
Exact Mass 539.28765120 g/mol
Monoisotopic Mass 539.28765120 g/mol
Topological Polar Surface Area 131Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 547
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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