endo-BCN-PEG2-alcohol

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endo-BCN-PEG2-alcohol

endo-BCN-PEG2-alcohol | 1807501-85-4

Catalog Number R16-0012
Category BCN
Molecular Formula C₁₇H₂₇NO₅
Molecular Weight 325.40
Catalog Number Size Price Quantity
R16-0012 -- $--

Product Introduction

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

Chemical Information

Synonyms bicyclo[6.1.0]non-4-yn-9-ylmethyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate; endo-BCN-PEG2-OH; endo-BCN-PEG2-Hydroxy; {bicyclo[6.1.0]non-4-yn-9-yl}methyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate; 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
Purity 95%
IUPAC Name 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCO)CCC#C1
InChI InChI=1S/C17H27NO5/c19-8-10-22-12-11-21-9-7-18-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16,19H,3-13H2,(H,18,20)
InChI Key PEXDOIHAKXYTET-UHFFFAOYSA-N
Solubility Water, DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 325.18892296 g/mol
Monoisotopic Mass 325.18892296 g/mol
Topological Polar Surface Area 77Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 409
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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