DBCO-NH-Boc

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DBCO-NH-Boc

DBCO-NH-Boc | 1539290-74-8

Catalog Number R01-0351
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₂₃H₂₄N₂O₃
Molecular Weight 376.45
Catalog Number Size Price Quantity
R01-0351 -- $--

Product Introduction

DBCO-NH-Boc is a click chemistry reagent, which can be used as a PROTAC linker for the synthesis of PROTACs.

Chemical Information

Synonyms tert-butyl N-(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamate
Purity 98%
IUPAC Name tert-butyl N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C23H24N2O3/c1-23(2,3)28-22(27)24-15-14-21(26)25-16-19-10-5-4-8-17(19)12-13-18-9-6-7-11-20(18)25/h4-11H,14-16H2,1-3H3,(H,24,27)
InChI Key REYNVEBGFQGBTG-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 376.17869263 g/mol
Monoisotopic Mass 376.17869263 g/mol
Topological Polar Surface Area 58.6Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 639
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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