Methyltetrazine-amido-PEG7-azide

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Methyltetrazine-amido-PEG7-azide

Methyltetrazine-amido-PEG7-azide | 2112731-46-9

Catalog Number R08-0032
Category Tetrazines
Molecular Formula C27H42N8O8
Molecular Weight 606.68
Catalog Number Size Price Quantity
R08-0032 -- $--

Product Introduction

Methyltetrazine-amido-PEG7-azide is a bifunctional PEG crosslinker and a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.

Chemical Information

Synonyms 1-azido-N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}-3,6,9,12,15,18,21-heptaoxatetracosan-24-amide
Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C27H42N8O8/c1-23-31-33-27(34-32-23)25-4-2-24(3-5-25)22-29-26(36)6-8-37-10-12-39-14-16-41-18-20-43-21-19-42-17-15-40-13-11-38-9-7-30-35-28/h2-5H,6-22H2,1H3,(H,29,36)
InChI Key PQDMYSBOSSHIPG-UHFFFAOYSA-N
Solubility Soluble in DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 27
Exact Mass 606.31256033 g/mol
Monoisotopic Mass 606.31256033 g/mol
Topological Polar Surface Area 160Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 721
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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