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· · COA & SDS available for every product · Same-day shipping on in-stock items EHT 1864 - Moligand™ , CAS No.E610084
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.
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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 Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1 IUPAC Name 2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one InChIKey MIDUFIRTIFUTQA-UHFFFAOYSA-N INCHI 1S/C25H27F3N2O4S/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30/h4-7,14-15,17H,1-3,8-13,16H2 Isomeric SMILES C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F PubChem CID 9938203
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 Not available Intermediate Tree Nodes Not available Direct Parent Quinolines and derivatives Alternative Parents Alkyl aryl ethers Pyranones and derivatives Alkylarylthioethers Aralkylamines Pyridines and derivatives Benzenoids Morpholines Heteroaromatic compounds Trialkylamines Cyclic ketones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Organic oxides Hydrocarbon derivatives Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Quinoline - Aryl thioether - Alkyl aryl ether - Pyranone - Alkylarylthioether - Aralkylamine - Morpholine - Oxazinane - Pyran - Benzenoid - Pyridine - Heteroaromatic compound - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 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 508.600 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 10 Exact Mass 508.164 Da Monoisotopic Mass 508.164 Da Topological Polar Surface Area 86.200 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 770.000 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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