N-(Azido-PEG2)-N-Boc-PEG3-NHS ester | CAS 2093153-85-4

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

Catalog Number	R14-0088
Category	Azides
Molecular Formula	C₂₄H₄₁N₅O₁₁
Molecular Weight	575.61

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Product Introduction

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

Chemical Information
Product Specification
Computed Properties

Synonyms	N-(AZIDO-PEG2)-N-BOC-PEG3-NHSESTER; 2,5-dioxopyrrolidin-1-yl 1-azido-9-(tert-butoxycarbonyl)-3,6,12,15,18-pentaoxa-9-azahenicosan-21-oate; 2,5-dioxopyrrolidin-1-yl 3-(2-{2-[2-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)ethoxy]ethoxy}ethoxy)propanoate
Purity	98%
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES	CC(C)(C)OC(=O)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI	InChI=1S/C24H41N5O11/c1-24(2,3)39-23(33)28(8-12-36-16-15-35-11-7-26-27-25)9-13-37-17-19-38-18-14-34-10-6-22(32)40-29-20(30)4-5-21(29)31/h4-19H2,1-3H3
InChIKey	LICLIIAXFJFOMD-UHFFFAOYSA-N

Storage

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

XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	25
Exact Mass	575.28025714 g/mol
Monoisotopic Mass	575.28025714 g/mol
Topological Polar Surface Area	154Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	815
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