N-(Azido-PEG2)-N-Boc-PEG3-acid | CAS 2086689-01-0

Name: N-(Azido-PEG2)-N-Boc-PEG3-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R14-0092
Category	Azides
Molecular Formula	C₂₀H₃₈N₄O₉
Molecular Weight	478.54

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Product Introduction

N-(Azido-PEG2)-N-Boc-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG2)-N-Boc-PEG3-acid can be used in the synthesis of a series of PROTACs.

Chemical Information
Product Specification
Computed Properties

Synonyms	1-azido-9-(tert-butoxycarbonyl)-3,6,12,15,18-pentaoxa-9-azahenicosan-21-oic acid; 3-(2-{2-[2-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)ethoxy]ethoxy}ethoxy)propanoic acid; 5,8,11-Trioxa-2-azatetradecanedioic acid, 2-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-, 1-(1,1-dimethylethyl) ester
Purity	98%
IUPAC Name	3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	CC(C)(C)OC(=O)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(=O)O
InChI	InChI=1S/C20H38N4O9/c1-20(2,3)33-19(27)24(6-10-30-14-13-29-9-5-22-23-21)7-11-31-15-17-32-16-12-28-8-4-18(25)26/h4-17H2,1-3H3,(H,25,26)
InChIKey	NNNACCUYHDGKHF-UHFFFAOYSA-N
Solubility	Water, DMSO, DCM, DMF

Storage

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

XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	23
Exact Mass	478.26387880 g/mol
Monoisotopic Mass	478.26387880 g/mol
Topological Polar Surface Area	127Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	566
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