Methyltetrazine-PEG5-alkyne

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Methyltetrazine-PEG5-alkyne

Methyltetrazine-PEG5-alkyne | 1802907-97-6

Catalog Number R08-0035
Category Tetrazines
Molecular Formula C₂₀H₂₆N₄O₅
Molecular Weight 402.44
Catalog Number Size Price Quantity
R08-0035 -- $--

Product Introduction

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

Chemical Information

Synonyms Methyltetrazine-PEG4-Alkyne; 3-(4-(3,6,9,12-Tetraoxapentadec-14-yn-1-yloxy)phenyl)-6-methyl-1,2,4,5-tetrazine; 3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine
Purity 95%
IUPAC Name 3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C
InChI InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3
InChI Key OAKPIEOTVXLRCN-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 15
Exact Mass 402.19031994 g/mol
Monoisotopic Mass 402.19031994 g/mol
Topological Polar Surface Area 97.7Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 445
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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