N-(Boc-PEG1)-N-bis(PEG2-propargyl)

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N-(Boc-PEG1)-N-bis(PEG2-propargyl)

N-(Boc-PEG1)-N-bis(PEG2-propargyl) | 2100306-63-4

Catalog Number R01-0082
Category Alkynes
Molecular Formula C₂₃H₄₀N₂O₇
Molecular Weight 456.57
Catalog Number Size Price Quantity
R01-0082 -- $--

Product Introduction

N-(Boc-PEG1)-N-bis(PEG2-propargyl) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Boc-PEG1)-N-bis(PEG2-propargyl) can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms tert-butyl (6-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)-3,9,12-trioxa-6-azapentadec-14-yn-1-yl)carbamate; tert-butyl N-(6-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethyl}-3,9,12-trioxa-6-azapentadec-14-yn-1-yl)carbamate
Purity 98%
IUPAC Name tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCN(CCOCCOCC#C)CCOCCOCC#C
InChI InChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26)
InChI Key MGRYPZQWMHNWAP-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 22
Exact Mass 456.28355162 g/mol
Monoisotopic Mass 456.28355162 g/mol
Topological Polar Surface Area 87.7Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 530
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
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