BDP TR amine

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BDP TR amine

BDP TR amine | 2183473-18-7

Catalog Number F01-0022
Category BODIPY
Molecular Formula C27H30N4BClF2O2S
Molecular Weight 558.88
Catalog Number Size Price Quantity
F01-0022 -- $--

Product Introduction

BDP TR is a bright borondipyrromethene dye for ROX channel. Unlike ROX, it is very stable to oxidation. This amine derivative is useful for the conjugation with electrophilic reagents like epoxides and activated carboxyl derivatives, and as well for enzymatic transamination reaction.

Chemical Information

Synonyms 6-[[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]acetyl]amino]hexylazanium;chloride
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[[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]acetyl]amino]hexylazanium;chloride
Canonical SMILES [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCCCCC[NH3+])(F)F.[Cl-]
InChI InChI=1S/C27H29BF2N4O2S.ClH/c29-28(30)33-21(18-22-10-14-25(34(22)28)26-6-5-17-37-26)9-13-24(33)20-7-11-23(12-8-20)36-19-27(35)32-16-4-2-1-3-15-31;/h5-14,17-18H,1-4,15-16,19,31H2,(H,32,35);1H
InChI Key DSCISRRJOISYKQ-UHFFFAOYSA-N
Solubility good in DCM, DMSO, DMF
Appearance dark colored solid
  • 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 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 11
Exact Mass 558.1839116 g/mol
Monoisotopic Mass 558.1839116 g/mol
Topological Polar Surface Area 102Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 922
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 2
Compound Is Canonicalized Yes
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