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· · COA & SDS available for every product · Same-day shipping on in-stock items Lecozotan , CAS No.L669070
Synonyms
Lecozotan | Lecozotan [INN] | UNII-48854OTZ5E | 48854OTZ5E | 4-Cyano-N-(2R-(4-(2,3-dihydrobenzo(1,4)-dioxin-5-yl)-piperazin-1-yl)-propyl)-N-pyridin-2-yl-benzamide hydrochloride | DTXSID30870354 | NRPQELCNMADTOZ-OAQYLSRUSA-N | BDBM50166903 | DB12540 | 4-cy
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Why this grade 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
Lecozotan | Lecozotan [INN] | UNII-48854OTZ5E | 48854OTZ5E | 4-Cyano-N-(2R-(4-(2, 3-dihydrobenzo(1, 4)-dioxin-5-yl)-piperazin-1-yl)-propyl)-N-pyridin-2-yl-benzamide hydrochloride | DTXSID30870354 | NRPQELCNMADTOZ-OAQYLSRUSA-N | BDBM50166903 | DB12540 | 4-cy
Product Properties Names and Identifiers Canonical Smiles CC(CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5 IUPAC Name 4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide InChIKey NRPQELCNMADTOZ-OAQYLSRUSA-N INCHI 1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1 Isomeric SMILES C[C@H](CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5 Molecular Weight 483.6 Reaxy-Rn 10215344 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10215344&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 Organoheterocyclic compounds Class Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent N-arylpiperazines Alternative Parents Benzo-1,4-dioxanes Benzamides Benzonitriles Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Pyridines and derivatives Para dioxins Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents N-arylpiperazine - Benzo-1,4-dioxane - Benzodioxane - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - Para-dioxin - Pyridine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Oxacycle - Nitrile - Carboxylic acid derivative - Ether - Carbonitrile - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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 483.600 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 483.227 Da Monoisotopic Mass 483.227 Da Topological Polar Surface Area 81.900 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 770.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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