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· · COA & SDS available for every product · Same-day shipping on in-stock items FPL 55712 - ≥97%(HPLC) , CAS No.40785-97-5
Synonyms
4H-1-Benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy)-4-oxo-8-propyl- | BDBM50006812 | UNII-8Q3M8GL2XV | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid(FP
Shipped In
Ice chest + Ice pads
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Why this grade ≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4H-1-Benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy)-4-oxo-8-propyl- | BDBM50006812 | UNII-8Q3M8GL2XV | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid(FP
Specifications & Purity
≥97%(HPLC)
Biochemical and Physiological Mechanisms
Leukotriene receptor antagonist; inhibits contraction of guinea pig trachealis induced by leukotrienes C4, D4, E4and F4.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC)O IUPAC Name 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid InChIKey LMQBMWHHGVZWMR-UHFFFAOYSA-N INCHI 1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33) Isomeric SMILES CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC)O Molecular Weight 498.52 Reaxy-Rn 1414108 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1414108&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Chromones Acetophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyl-phenylketone - Chromone - Benzopyran - 1-benzopyran - Acetophenone - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:100mM NaOH, Max Conc. mg/mL: 24.93, Max Conc. mM: 50 Molecular Weight 498.500 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 12 Exact Mass 498.189 Da Monoisotopic Mass 498.189 Da Topological Polar Surface Area 140.000 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 809.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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