APN-C3-PEG4-azide

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APN-C3-PEG4-azide

APN-C3-PEG4-azide | 2183440-32-4

Catelog Number R14-0145
Category Azides
Molecular Formula C₂₄H₃₂N₆O₆
Molecular Weight 500.55
Catalog Number Size Price Quantity
R14-0145 -- $--

Product Introduction

APN-C3-PEG4-azide is a polyethylene glycol (PEG)-based PROTAC linker. APN-C3-PEG4-azide can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 1-azido-N-(3-{[4-(2-cyanoeth-1-yn-1-yl)phenyl]carbamoyl}propyl)-3,6,9,12-tetraoxapentadecan-15-amide; 1-azido-N-(4-((4-(cyanoethynyl)phenyl)amino)-4-oxobutyl)-3,6,9,12-tetraoxapentadecan-15-amide
Purity 98%
IUPAC Name 4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-(2-cyanoethynyl)phenyl]butanamide
Canonical SMILES C1=CC(=CC=C1C#CC#N)NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C24H32N6O6/c25-10-1-3-21-5-7-22(8-6-21)29-24(32)4-2-11-27-23(31)9-13-33-15-17-35-19-20-36-18-16-34-14-12-28-30-26/h5-8H,2,4,9,11-20H2,(H,27,31)(H,29,32)
InChI Key JKVJRGOKGCBEJR-UHFFFAOYSA-N

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 21
Exact Mass 500.23833276 g/mol
Monoisotopic Mass 500.23833276 g/mol
Topological Polar Surface Area 133Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 787
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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