Coumarin 343 X carboxylic acid

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Coumarin 343 X carboxylic acid

Coumarin 343 X carboxylic acid | 946123-11-1

Catelog Number F06-0003
Category Coumarin
Molecular Formula C22H26N2O5
Molecular Weight 398.45
Catalog Number Size Price Quantity
F06-0003 -- $--

Product Introduction

Coumarin 343 is a blue emitting fluorophore used as a laser dye. The fluorophore can serve as a FRET donor for FAM (fluorescein).

Chemical Information

Synonyms 6-({4-Oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl}carbonylamino)hexanoic acid; 6-(11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamido)hexanoic acid
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonyl)amino]hexanoic acid
Canonical SMILES C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)NCCCCCC(=O)O)CCCN3C1
InChI InChI=1S/C22H26N2O5/c25-18(26)8-2-1-3-9-23-21(27)17-13-15-12-14-6-4-10-24-11-5-7-16(19(14)24)20(15)29-22(17)28/h12-13H,1-11H2,(H,23,27)(H,25,26)
InChI Key HCUGYFCWVUOZRK-UHFFFAOYSA-N
Solubility Well soluble in DMF, DMSO, moderately soluble in DCM, DCE, EtOAc, insoluble in diethyl ether.
Appearance yellow crystals

Product Specification

ε, L⋅mol-1⋅cm-1 39000
Fluorescence Quantum Yield 0.63
Excitation 437
Emission 477
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.

Computed Properties

XLogP3 3.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 398.18417193 g/mol
Monoisotopic Mass 398.18417193 g/mol
Topological Polar Surface Area 95.9Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 691
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

Patents

Publication NumberTitlePriority Date
EP-1842923-A1 Methanesulfonylaminoindole derivatives and labeled oligonucleotide probes containing them. 2006-02-20
EP-1842923-B1 Methanesulfonylaminoindole derivatives and labeled oligonucleotide probes containing them 2006-02-20
US-2007196852-A1 Labeling reagent 2006-02-20
US-7759470-B2 Labeling reagent 2006-02-20
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