BDP 558/568 hydrazide

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BDP 558/568 hydrazide

BDP 558/568 hydrazide

Catelog Number R05-0001
Category BODIPY
Molecular Formula C16H16N4BClF2OS
Molecular Weight 396.65
Catalog Number Size Price Quantity
R05-0001 -- $--

Product Introduction

Carbonyl groups of aldehyde/ketone type are very often found in natural and synthetic molecules. Aldehydes and ketones can be efficiently labeled with hydrazides with the formation of stable hydrazones. This compound is a carbonyl reactive hydrazide derivative of BDP 558/568 dye which has its emission in yellow range of the spectrum.

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)propanoylamino]azanium;chloride
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)N[NH3+])C=C3[N+]1=C(C=C3)C4=CC=CS4)(F)F.[Cl-]
InChI InChI=1S/C16H15BF2N4OS.ClH/c18-17(19)22-11(6-8-16(24)21-20)3-4-12(22)10-13-5-7-14(23(13)17)15-2-1-9-25-15;/h1-5,7,9-10H,6,8,20H2,(H,21,24);1H
InChI Key XNJDXKAVOZGJNT-UHFFFAOYSA-N
Solubility good in DMF, DMSO
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 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 396.0794465 g/mol
Monoisotopic Mass 396.0794465 g/mol
Topological Polar Surface Area 92.9Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 681
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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