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· · COA & SDS available for every product · Same-day shipping on in-stock items RS 100235 - Moligand™ , Antagonist of 5-HT 4 receptor, CAS No.R613293, Antagonist of 5-HT 4 receptor
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
RS-100235;RS100235
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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
RS-100235;RS100235
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of 5-HT 4 receptor
Names and Identifiers Canonical Smiles COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC IUPAC Name 1-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]piperidin-4-yl]propan-1-one InChIKey UVOCSZKGWJOKNN-UHFFFAOYSA-N INCHI 1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3 Isomeric SMILES COC1=C(C=C(C=C1)CCCN2CCC(CC2)CCC(=O)C3=CC(=C(C4=C3OCCO4)N)Cl)OC PubChem CID 5311416
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 Benzenoids Class Benzene and substituted derivatives Subclass Butyrophenones Intermediate Tree Nodes Not available Direct Parent Butyrophenones Alternative Parents Phenylpropylamines Benzo-1,4-dioxanes Dimethoxybenzenes Anisoles Phenoxy compounds Aryl alkyl ketones Alkyl aryl ethers Aralkylamines Piperidines Para dioxins Aryl chlorides Trialkylamines Oxacyclic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Butyrophenone - Benzo-1,4-dioxane - Benzodioxane - O-dimethoxybenzene - Dimethoxybenzene - Phenylpropylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Para-dioxin - Piperidine - Tertiary aliphatic amine - Tertiary amine - Ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety. 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 503.000 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 10 Exact Mass 502.223 Da Monoisotopic Mass 502.223 Da Topological Polar Surface Area 83.300 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 661.000 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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