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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag für Lagerartikel serlopitant - Moligand™ , Neurokinin 1 receptor antagonist, CAS No.860642-69-9, Neurokinin 1 receptor antagonist
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
3-[5-{1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-2H-isoindol-2-yl]cyclopent-2-en-1-one | GTPL9280 | Isopropyl acetate, >=99.6% | Serlopitant [USAN:INN] | Q21098912 | 3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]e
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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 Synonyme
3-[5-{1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-2H-isoindol-2-yl]cyclopent-2-en-1-one | GTPL9280 | Isopropyl acetate, >=99.6% | Serlopitant [USAN:INN] | Q21098912 | 3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]e
Spezifikationen & Reinheit
Moligand™
Mechanismus der Wirkung
Neurokinin 1 receptor antagonist
Produkteigenschaften Namen und Kennungen Kanonisches Lächeln
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CCC3CN(CC3C2C4=CC=C(C=C4)F)C5=CC(=O)CC5
IUPAC Name
3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one
InChIKey
FLNYCRJBCNNHRH-OIYLJQICSA-N
INCHI
1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1
Isomere SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@@H]3CN(C[C@H]3[C@@H]2C4=CC=C(C=C4)F)C5=CC(=O)CC5
Alternative CAS-Nummer
860642-69-9
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 Klasse Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Benzylethers Isoindoles Isoindolines Aralkylamines Fluorobenzenes Aryl fluorides Pyrrolidines Vinylogous amides Trialkylamines Cyclic ketones Enamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Trifluoromethylbenzene - Benzylether - Isoindoline - Isoindole - Isoindole or derivatives - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Vinylogous amide - Pyrrolidine - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Dialkyl ether - Enamine - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound Beschreibung This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Molekulargewicht 555.500 g/mol XLogP3 6.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 5 Exact Mass 555.201 Da Monoisotopic Mass 555.201 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 39 Formal Charge 0 Complexity 888.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 5 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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