Methyltetrazine-PEG8-acid

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Methyltetrazine-PEG8-acid

Methyltetrazine-PEG8-acid | 2183440-33-5

Catalog Number R08-0056
Category Tetrazines
Molecular Formula C₂₈H₄₄N₄O₁₁
Molecular Weight 612.67
Catalog Number Size Price Quantity
R08-0056 -- $--

Product Introduction

Methyltetrazine-PEG8-acid is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG8-acid can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid
Purity 95%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C28H44N4O11/c1-24-29-31-28(32-30-24)25-2-4-26(5-3-25)43-23-22-42-21-20-41-19-18-40-17-16-39-15-14-38-13-12-37-11-10-36-9-8-35-7-6-27(33)34/h2-5H,6-23H2,1H3,(H,33,34)
InChI Key JDJSAIBRQJQXLA-UHFFFAOYSA-N
Solubility Water, DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 29
Exact Mass 612.30065823 g/mol
Monoisotopic Mass 612.30065823 g/mol
Topological Polar Surface Area 172Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 640
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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