BDP 558/568 NHS ester

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BDP 558/568 NHS ester

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 -- $--

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

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
  • Product Specification
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 99.9Ų
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
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