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· · COA & SDS available for every product · Same-day shipping on in-stock items 77-LH-28-1 - Moligand™ , CAS No.560085-11-2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
77-LH-28-1|CHEMBL3354065|1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one|560085-11-2|GTPL3271|SCHEMBL4100746|DTXSID90437063|PHMGZAICAOYEAF-UHFFFAOYSA-N|9ZH28BM589|1-[3-(4-Butylpiperidino)propyl]-3,4-dihydroquinoline-2(1H)-one|77Lh28-1|BDBM50
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
77-LH-28-1 | CHEMBL3354065 | 1-[3-(4-butylpiperidin-1-yl)propyl]-3, 4-dihydroquinolin-2-one | 560085-11-2 | GTPL3271 | SCHEMBL4100746 | DTXSID90437063 | PHMGZAICAOYEAF-UHFFFAOYSA-N | 9ZH28BM589 | 1-[3-(4-Butylpiperidino)propyl]-3, 4-dihydroquinoline-2(1H)-one | 77Lh28-1 | BDBM50
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2 IUPAC Name 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one InChIKey PHMGZAICAOYEAF-UHFFFAOYSA-N INCHI 1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3 Isomeric SMILES CCCCC1CCN(CC1)CCCN2C(=O)CCC3=CC=CC=C32 PubChem CID 10236758
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 Organoheterocyclic compounds Class Quinolines and derivatives Subclass Quinolones and derivatives Intermediate Tree Nodes Not available Direct Parent Hydroquinolones Alternative Parents Hydroquinolines Piperidines Benzenoids Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Tetrahydroquinolone - Tetrahydroquinoline - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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 Molecular Weight 328.500 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 7 Exact Mass 328.251 Da Monoisotopic Mass 328.251 Da Topological Polar Surface Area 23.600 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 389.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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