N-(Azido-PEG3)-N-Boc-PEG4-acid | CAS 2112731-95-8

Name: N-(Azido-PEG3)-N-Boc-PEG4-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R14-0089
Category	Azides
Molecular Formula	C₂₄H₄₆N₄O₁₁
Molecular Weight	566.64

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Product Introduction

N-(Azido-PEG3)-N-Boc-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-Boc-PEG4-acid can be used in the synthesis of a series of PROTACs.

Chemical Information
Product Specification
Computed Properties

Synonyms	1-(16-azido-2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-5-yl)-3,6,9,12-tetraoxapentadecan-15-oic acid; 1-azido-12-(tert-butoxycarbonyl)-3,6,9,15,18,21,24-heptaoxa-12-azaheptacosan-27-oic acid
Purity	98%
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	CC(C)(C)OC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)O
InChI	InChI=1S/C24H46N4O11/c1-24(2,3)39-23(31)28(6-10-34-14-18-37-17-13-33-9-5-26-27-25)7-11-35-15-19-38-21-20-36-16-12-32-8-4-22(29)30/h4-21H2,1-3H3,(H,29,30)
InChIKey	OADVJZWLSBSJIP-UHFFFAOYSA-N

Storage

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

XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	29
Exact Mass	566.31630830 g/mol
Monoisotopic Mass	566.31630830 g/mol
Topological Polar Surface Area	146Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	659
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