Pyrene-PEG5-propargyl

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Pyrene-PEG5-propargyl

Pyrene-PEG5-propargyl | 1817735-33-3

Catalog Number F08-0004
Category Pyrene
Molecular Formula C₃₀H₃₃NO₆
Molecular Weight 503.59
Catalog Number Size Price Quantity
F08-0004 -- $--

Product Introduction

Pyrene-PEG5-propargyl is a polyethylene glycol (PEG)-based PROTAC linker. Pyrene-PEG5-propargyl can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms N-(3,6,9,12,15-Pentaoxaoctadec-17-yn-1-yl)pyrene-1-carboxamide; 1-Pyrenecarboxamide, N-3,6,9,12,15-pentaoxaoctadec-17-yn-1-yl-; N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrene-1-carboxamide
Purity 98%
IUPAC Name N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrene-1-carboxamide
Canonical SMILES C#CCOCCOCCOCCOCCOCCNC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI InChI=1S/C30H33NO6/c1-2-13-33-15-17-35-19-21-37-22-20-36-18-16-34-14-12-31-30(32)27-11-9-25-7-6-23-4-3-5-24-8-10-26(27)29(25)28(23)24/h1,3-11H,12-22H2,(H,31,32)
InChI Key XGANKSIJSRXKLW-UHFFFAOYSA-N
Solubility DMSO, DMF, DCM
  • Product Specification
Fluorescence Quantum Yield 1.00
Excitation 343; 326; 313
Emission 377; 397
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 17
Exact Mass 503.23078777 g/mol
Monoisotopic Mass 503.23078777 g/mol
Topological Polar Surface Area 75.2Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 722
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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