Gly-PEG3-endo-BCN

What We Offer

Gly-PEG3-endo-BCN

Gly-PEG3-endo-BCN | 2354291-37-3

Catalog Number R16-0003
Category BCN
Molecular Formula C₂₃H₃₉N₃O₆
Molecular Weight 453.57
Catalog Number Size Price Quantity
R16-0003 -- $--

Product Introduction

Gly-PEG3-endo-BCN is a polyethylene glycol (PEG)-based PROTAC linker. Gly-PEG3-endo-BCN can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms Gly-PEG3-endo-BCN, TFA salt
IUPAC Name [(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[3-[2-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate
Canonical SMILES C1CC2C(C2COC(=O)NCCCOCCOCCOCCCNC(=O)CN)CCC#C1
InChI InChI=1S/C23H39N3O6/c24-17-22(27)25-9-5-11-29-13-15-31-16-14-30-12-6-10-26-23(28)32-18-21-19-7-3-1-2-4-8-20(19)21/h19-21H,3-18,24H2,(H,25,27)(H,26,28)/t19-,20+,21?
InChI Key MZZHRBCWKALCAE-WCRBZPEASA-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
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 18
Exact Mass 453.28388597 g/mol
Monoisotopic Mass 453.28388597 g/mol
Topological Polar Surface Area 121Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 599
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
cartIcon
Inquiry Basket