BDP 581/591 NHS ester

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BDP 581/591 NHS ester

BDP 581/591 NHS ester | 654651-21-5

Catelog Number R01-0006
Category BODIPY
Molecular Formula C26H22N3BF2O4
Molecular Weight 489.28
Catalog Number Size Price Quantity
R01-0006 -- $--

Product Introduction

BDP 581/591 is a borondipyrromethene dye that has relatively long fluorescence lifetime and two photon excitation cross section. It is useful for fluorescence polarization assays. Due to the presence of a diene system, it can react with reactive oxygen species (ROS) with a change of fluorescence. This is the NHS ester derivative for the conjugation with primary and secondary amine groups of proteins, peptides, and other molecules.

Chemical Information

Synonyms BDP581/591NHSester
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 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]propanoate
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C=CC=CC5=CC=CC=C5)(F)F
InChI InChI=1S/C26H22BF2N3O4/c28-27(29)30-20(9-5-4-8-19-6-2-1-3-7-19)10-12-22(30)18-23-13-11-21(31(23)27)14-17-26(35)36-32-24(33)15-16-25(32)34/h1-13,18H,14-17H2/b8-4+,9-5+
InChI Key HHJAMTPLXKVOAY-KBXRYBNXSA-N
Solubility good in DMF, DMSO, DCM
Appearance dark colored solid

Product Specification

ε, L⋅mol-1⋅cm-1 104000
Fluorescence Quantum Yield 0.83
Excitation 585
Emission 594
Storage 12 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 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 489.1671427 g/mol
Monoisotopic Mass 489.1671427 g/mol
Topological Polar Surface Area 71.6Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 1070
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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