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
R08-0045	--	$--

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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	161Å²
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

Applications of Fluorescent Probes & Dyes

Laser Dye

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

Product Introduction

Chemical Information

Computed Properties