BDP TR tetrazine

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BDP TR tetrazine

BDP TR tetrazine

Catalog Number R08-0005
Category BODIPY
Molecular Formula C31H24N7BF2O2S
Molecular Weight 607.44
Catalog Number Size Price Quantity

Product Introduction

BDP TR dye tetrazine derivative for TCO ligation reaction of cycloalkenes with tetrazines.BDP TR is a multi-purpose borondipyrromethene dye for ROX/Texas Red channel, possessing excellent brightness.

Chemical Information

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-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide
Canonical SMILES [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCC6=CC=C(C=C6)C7=NN=C(N=N7)C)(F)F
InChI InChI=1S/C31H24BF2N7O2S/c1-20-36-38-31(39-37-20)23-6-4-21(5-7-23)18-35-30(42)19-43-26-12-8-22(9-13-26)27-14-10-24-17-25-11-15-28(29-3-2-16-44-29)41(25)32(33,34)40(24)27/h2-17H,18-19H2,1H3,(H,35,42)
InChI Key LJMVQPCJLWRFNA-UHFFFAOYSA-N
Solubility good in DMF, DMSO, DCM
Appearance violet crystals
  • Product Specification
ε, L⋅mol-1⋅cm-1 60000
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 10
Rotatable Bond Count 8
Exact Mass 607.1773307 g/mol
Monoisotopic Mass 607.1773307 g/mol
Topological Polar Surface Area 126Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 1150
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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