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Methyltetrazine-PEG8-PFP ester

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Methyltetrazine-PEG8-PFP ester

Methyltetrazine-PEG8-PFP ester | 2353409-49-9

Catalog Number R08-0045
Category Tetrazines
Molecular Formula C₃₄H₄₃F₅N₄O₁₁
Molecular Weight 778.72
Catalog Number Size Price Quantity

Product Introduction

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

Chemical Information

Synonyms Perfluorophenyl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate; 2,3,4,5,6-pentafluorophenyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate
Purity 98%
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 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]propanoate
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI InChI=1S/C34H43F5N4O11/c1-24-40-42-34(43-41-24)25-2-4-26(5-3-25)53-23-22-52-21-20-51-19-18-50-17-16-49-15-14-48-13-12-47-11-10-46-9-8-45-7-6-27(44)54-33-31(38)29(36)28(35)30(37)32(33)39/h2-5H,6-23H2,1H3
InChI Key REVQAJYVXWMUAG-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 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 31
Exact Mass 778.28484901 g/mol
Monoisotopic Mass 778.28484901 g/mol
Topological Polar Surface Area 161Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 933
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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