Propargyl-PEG4-S-PEG4-propargyl

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Propargyl-PEG4-S-PEG4-propargyl

Propargyl-PEG4-S-PEG4-propargyl | CAS 2055041-17-1

Catalog Number R01-0098
Category Alkynes
Molecular Formula C₂₂H₃₈O₈S
Molecular Weight 462.60
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Product Introduction

Propargyl-PEG4-S-PEG4-propargyl is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-S-PEG4-propargyl can be used in the synthesis of a series of PROTACs.

  • Chemical Information

  • Product Specification

  • Computed Properties

Synonyms 4,7,10,13,19,22,25,28-octaoxa-16-thiahentriaconta-1,30-diyne
Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Canonical SMILES C#CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C
InChI InChI=1S/C22H38O8S/c1-3-5-23-7-9-25-11-13-27-15-17-29-19-21-31-22-20-30-18-16-28-14-12-26-10-8-24-6-4-2/h1-2H,5-22H2
InChIKey FWWYVRGWJPDTIG-UHFFFAOYSA-N
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
XLogP3 -0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 26
Exact Mass 462.22873934 g/mol
Monoisotopic Mass 462.22873934 g/mol
Topological Polar Surface Area 99.1Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 405
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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