BDP 581/591 tetrazine

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BDP 581/591 tetrazine

BDP 581/591 tetrazine

Catalog Number R08-0001
Category BODIPY
Molecular Formula C32H28N7BF2O
Molecular Weight 575.42
Catalog Number Size Price Quantity
R08-0001 -- $--

Product Introduction

BDP 581/591 is a borondipyrromethene dye with red emission. The dye exhibits high emission quantum yield and molar extinction coefficient, relatively long fluorescence lifetime and two-photon cross section. Additionally, it can be used as an intracellular ROS sensor. This tetrazine derivative allows to conjugate the fluorophore with various strained dienophiles like trans-cyclooctenes in a fast reaction called TCO-ligation.

Chemical Information

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-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)NCC3=CC=C(C=C3)C4=NN=C(N=N4)C)C=C5[N+]1=C(C=C5)C=CC=CC6=CC=CC=C6)(F)F
InChI InChI=1S/C32H28BF2N7O/c1-23-37-39-32(40-38-23)26-13-11-25(12-14-26)22-36-31(43)20-19-28-16-18-30-21-29-17-15-27(41(29)33(34,35)42(28)30)10-6-5-9-24-7-3-2-4-8-24/h2-18,21H,19-20,22H2,1H3,(H,36,43)/b9-5+,10-6+
InChI Key FJTGIDJJMYYWBZ-NXZHAISVSA-N
Solubility well soluble in DMF, DMSO, dichloromethane, toluene
Appearance colorless solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 104000
Fluorescence Quantum Yield 0.83
Excitation 585
Emission 594
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 8
Rotatable Bond Count 9
Exact Mass 575.2416450 g/mol
Monoisotopic Mass 575.2416450 g/mol
Topological Polar Surface Area 88.6Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1150
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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