BDP TR tetrazine

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BDP TR tetrazine

BDP TR tetrazine

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

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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