BDP 558/568 NHS ester | 150173-73-2

Catalog Number	R01-0005
Category	BODIPY
Molecular Formula	C20H16BF2N3O4S
Molecular Weight	443.23

Catalog Number	Size	Price	Quantity
R01-0005	--	$--

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Product Introduction

BDP 558/568 NHS ester is a BDP dye linker with similar emission to other dyes such as Cyanine3. It is a borondipyrromethene fluorophore with emission in the yellow part of the spectrum.

Chemical Information
Product Specification

Synonyms	BODIPY 558/568 NHS Ester
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoate
Canonical SMILES	[B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
InChI	InChI=1S/C20H16BF2N3O4S/c22-21(23)24-13(6-10-20(29)30-26-18(27)8-9-19(26)28)3-4-14(24)12-15-5-7-16(25(15)21)17-2-1-11-31-17/h1-5,7,11-12H,6,8-10H2
InChI Key	DPIQWSPHMYACPD-UHFFFAOYSA-N
Solubility	good in DMF, DMSO, ethyl acetate
Appearance	dark colored solid

ε, L⋅mol-1⋅cm-1	84400
Excitation	561
Emission	569

Computed Properties
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	443.0922637 g/mol
Monoisotopic Mass	443.0922637 g/mol
Topological Polar Surface Area	99.9Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	921
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