Propargyl-PEG4-5-nitrophenyl carbonate

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Propargyl-PEG4-5-nitrophenyl carbonate

Propargyl-PEG4-5-nitrophenyl carbonate | 1422540-81-5

Catalog Number R01-0127
Category Alkynes
Molecular Formula C₁₈H₂₃NO₉
Molecular Weight 397.38
Catalog Number Size Price Quantity
R01-0127 -- $--

Product Introduction

Propargyl-PEG4-5-nitrophenyl carbonate is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-5-nitrophenyl carbonate can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 4-Nitrophenyl 3,6,9,12-tetraoxapentadec-14-ynyl carbonate; 4-nitrophenyl (3,6,9,12-tetraoxapentadec-14-yn-1-yl) carbonate; PROPARGYL-PEG4-5-NITROPHENYLCARBONATE; 4-Nitrophenyl 2-(2-(prop-2-ynyloxy)-PEG4 carbonate; 4-Nitrophenyl3,6,9,12-tetraoxapentadec-14-ynylcarbonate; 4-nitrophenyl 3,6,9,12-tetraoxapentadec-14-yn-1-yl carbonate; (4-nitrophenyl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbonate; Carbonic acid O-(4-nitrophenyl)O-[2-[2-[2-[2-(propargyloxy)ethoxy]ethoxy]ethoxy]ethyl] ester
Purity 95%
IUPAC Name (4-nitrophenyl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbonate
Canonical SMILES C#CCOCCOCCOCCOCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI InChI=1S/C18H23NO9/c1-2-7-23-8-9-24-10-11-25-12-13-26-14-15-27-18(20)28-17-5-3-16(4-6-17)19(21)22/h1,3-6H,7-15H2
InChI Key BRQWRLYCHVNDKS-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 9
Rotatable Bond Count 16
Exact Mass 397.13728131 g/mol
Monoisotopic Mass 397.13728131 g/mol
Topological Polar Surface Area 118Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 477
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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