Propargyl-peg3-sulfone-peg3-propargyl

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Propargyl-peg3-sulfone-peg3-propargyl

Propargyl-peg3-sulfone-peg3-propargyl | 2055024-44-5

Catalog Number R01-0094
Category Alkynes
Molecular Formula C₂₂H₃₈O₁₀S
Molecular Weight 494.60
Catalog Number Size Price Quantity
R01-0094 -- $--

Product Introduction

Propargyl-peg3-sulfone-peg3-propargyl is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-peg3-sulfone-peg3-propargyl can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne; 1-(3,6,9,12-tetraoxapentadec-14-yne-1-sulfonyl)-3,6,9,12-tetraoxapentadec-14-yne; 4,7,10,13,19,22,25,28-Octaoxa-16-thiahentriaconta-1,30-diyne, 16,16-dioxide
Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Canonical SMILES C#CCOCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCC#C
InChI InChI=1S/C22H38O10S/c1-3-5-25-7-9-27-11-13-29-15-17-31-19-21-33(23,24)22-20-32-18-16-30-14-12-28-10-8-26-6-4-2/h1-2H,5-22H2
InChI Key LSQRANPNXXSAEH-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 26
Exact Mass 494.21856858 g/mol
Monoisotopic Mass 494.21856858 g/mol
Topological Polar Surface Area 116Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 566
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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