DBCO-PEG2-amine | CAS 2250216-96-5

Name: DBCO-PEG2-amine
Brand: BOC Sciences
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Product Introduction

DBCO-PEG2-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG2-amine can be used in the synthesis of a series of PROTACs.

Synonyms	DBCO-PEG2-amine TFA salt
Purity	98%
IUPAC Name	N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES	C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCN
InChI	InChI=1S/C25H29N3O4/c26-13-15-31-17-18-32-16-14-27-24(29)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19,26H2,(H,27,29)
InChIKey	ILEXOUGGKQHBOX-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Storage

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

XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	435.21580641 g/mol
Monoisotopic Mass	435.21580641 g/mol
Topological Polar Surface Area	93.9Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	671
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