TCO-PEG8-amine | CAS 2353409-92-2

Name: TCO-PEG8-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Product Introduction

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

Synonyms	Cyclooct-4-en-1-yl (26-amino-3,6,9,12,15,18,21,24-octaoxahexacosyl)carbamate; (E)-Cyclooct-4-en-1-yl (26-amino-3,6,9,12,15,18,21,24-octaoxahexacosyl)carbamate; (4Z)-cyclooct-4-en-1-yl N-(26-amino-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamate
Purity	98%
IUPAC Name	[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES	C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI	InChI=1S/C27H52N2O10/c28-8-10-31-12-14-33-16-18-35-20-22-37-24-25-38-23-21-36-19-17-34-15-13-32-11-9-29-27(30)39-26-6-4-2-1-3-5-7-26/h1-2,26H,3-25,28H2,(H,29,30)/b2-1-
InChIKey	MXEGVNVGOKEYSH-UPHRSURJSA-N
Solubility	DMSO, DCM, DMF

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	28
Exact Mass	564.36219586 g/mol
Monoisotopic Mass	564.36219586 g/mol
Topological Polar Surface Area	138Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	557
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes