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	--	$--

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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
Product Specification

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

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	102Å²
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