Coumarin 487

Catalog Number	A17-0046
Category	Laser Dyes
Molecular Formula	C19H23NO2
Molecular Weight	297.397

Catalog Number	Size	Price	Quantity
A17-0046	--	$--

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Product Introduction

Coumarin 487 is a biopharmaceutical compound with anti-inflammatory and analgesic properties. Coumarin 487 is of importance due to its powerful ability to act as an inhibitor of the harmful cyclooxygenase-2 (COX-2).

Chemical Information
Product Specification

IUPAC Name	6-tert-butyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Canonical SMILES	CC(C)(C)C1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4
InChI	InChI=1S/C19H23NO2/c1-19(2,3)15-11-16(21)22-18-13-7-5-9-20-8-4-6-12(17(13)20)10-14(15)18/h10-11H,4-9H2,1-3H3
InChI Key	TXHMFSKQDJJITA-UHFFFAOYSA-N

Excitation	500
Emission	522

Computed Properties
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	297.172878976 g/mol
Monoisotopic Mass	297.172878976 g/mol
Topological Polar Surface Area	29.5Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	504
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