BDP TR alkyne

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BDP TR alkyne

BDP TR alkyne | 2006345-35-1

Catalog Number R02-0019
Category Alkynes
Molecular Formula C24H18N3BF2O2S
Molecular Weight 461.29
Catalog Number Size Price Quantity
R02-0019 -- $--

Product Introduction

BDP TR is a borondipyrromethene fluorophore for ROX (Texas Red) channel. This is a universal fluorophore that can be used for microscopy, fluorescence polarization assay, and other applications. This derivative is a terminal alkyne for copper-catalyzed Click chemistry.

Chemical Information

Synonyms Bodipy TR alkyne; 2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)-N-(prop-2-yn-1-yl)acetamide; 2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide
Canonical SMILES [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCC#C)(F)F
InChI InChI=1S/C24H18BF2N3O2S/c1-2-13-28-24(31)16-32-20-9-5-17(6-10-20)21-11-7-18-15-19-8-12-22(23-4-3-14-33-23)30(19)25(26,27)29(18)21/h1,3-12,14-15H,13,16H2,(H,28,31)
InChI Key NRAIVGWGVIETRD-UHFFFAOYSA-N
Solubility good in DMF, DMSO, DCM
Appearance dark colored solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 69000
Fluorescence Quantum Yield 0.9
Excitation 589
Emission 616
Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 461.1180845 g/mol
Monoisotopic Mass 461.1180845 g/mol
Topological Polar Surface Area 74.5Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 935
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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