BDP 558/568 alkyne

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BDP 558/568 alkyne

BDP 558/568 alkyne

Catelog Number R02-0013
Category BODIPY
Molecular Formula C19H16N3BF2OS
Molecular Weight 383.22
Catalog Number Size Price Quantity
R02-0013 -- $--

Product Introduction

BDP 558/568 is a borondipyrromethene dye for Cyanine3 channel. The dye possesses high quantum yield. This derivative is a terminal alkyne for Copper-catalyzed Click chemistry.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 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)-N-prop-2-ynylpropanamide
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)C4=CC=CS4)(F)F
InChI InChI=1S/C19H16BF2N3OS/c1-2-11-23-19(26)10-8-14-5-6-15-13-16-7-9-17(18-4-3-12-27-18)25(16)20(21,22)24(14)15/h1,3-7,9,12-13H,8,10-11H2,(H,23,26)
InChI Key PQDOJARDWWICEJ-UHFFFAOYSA-N
Solubility well soluble in DCM, DMF, DMSO, acetone, low aqueous solubility
Appearance dark colored solid

Product Specification

ε, L⋅mol-1⋅cm-1 84400
Excitation 561
Emission 569
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 5
Rotatable Bond Count 5
Exact Mass 383.1075198 g/mol
Monoisotopic Mass 383.1075198 g/mol
Topological Polar Surface Area 65.3Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 785
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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