BDP 581/591 alkyne

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BDP 581/591 alkyne

BDP 581/591 alkyne | CAS 2006345-34-0

Catalog Number R02-0014
Category BODIPY
Molecular Formula C25H22N3BF2O
Molecular Weight 429.27
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Product Introduction

BDP 581/591 is a borondipyrromethene fluorophore that is moderately hydrophobic. It is useful for fluorescence polarization assays, and microscopy. Due to its significant two photon absorption cross section, the dye is also useful for two photon experiments. This is a terminal alkyne for copper-catalyzed Click chemistry.

  • Chemical Information

  • Product Specification

  • Computed Properties

Synonyms BDP581/591alkyne
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-prop-2-ynylpropanamide
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F
InChI InChI=1S/C25H22BF2N3O/c1-2-18-29-25(32)17-16-22-13-15-24-19-23-14-12-21(30(23)26(27,28)31(22)24)11-7-6-10-20-8-4-3-5-9-20/h1,3-15,19H,16-18H2,(H,29,32)/b10-6+,11-7+
InChIKey OLFSHALJABVHGP-JMQWPVDRSA-N
Solubility good in DCM, DMF, DMSO
Appearance dark colored solid
ε, L⋅mol-1⋅cm-1 104000
Fluorescence Quantum Yield 0.83
Excitation 585
Emission 594
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 429.1823988 g/mol
Monoisotopic Mass 429.1823988 g/mol
Topological Polar Surface Area 37Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 934
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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