endo-BCN-PEG2-PFP ester

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endo-BCN-PEG2-PFP ester

endo-BCN-PEG2-PFP ester | CAS 1421932-53-7

Catalog Number R16-0020
Category BCN Reagents
Molecular Formula C24H26F5NO6
Molecular Weight 519.46
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Product Introduction

endo-BCN-PEG2-PFP ester is a strain-promoted click chemistry linker for ADCs, featuring a short PEG2 spacer for enhanced solubility. The perfluorophenyl ester facilitates rapid conjugation to amines, enabling copper-free bioorthogonal labeling in drug delivery systems.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Synonyms perfluorophenyl 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azatridecan-13-oate;
Purity ≥98%
IUPAC Name
SMILES C1CC2C(C2COC(=O)NCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)CCC#C1
InChI InChI=1S/C24H26F5NO6/c25-18-19(26)21(28)23(22(29)20(18)27)36-17(31)7-9-33-11-12-34-10-8-30-24(32)35-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,30,32)
InChIKey OQSLFTLVSWOAIW-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
Appearance Soild powder

Product Specification

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

Application

Computed Properties

XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 14
Exact Mass 519.16802836 g/mol
Monoisotopic Mass 519.16802836 g/mol
Topological Polar Surface Area 83.1Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 772
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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