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· · COA & SDS available for every product · Same-day shipping on in-stock items henatinib - Moligand™ , Vascular endothelial growth factor receptor 2 inhibitor, CAS No.H610810, Vascular endothelial growth factor receptor 2 inhibitor
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
HY-13645 | TE20GB753F | 1239269-51-2 | compound 25 [PMID: 21028894] | SCHEMBL13834955 | DB13019 | BDBM50331032 | Henatinib | UNII-TE20GB753F | 2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-1,6,7,8-tet
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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
HY-13645 | TE20GB753F | 1239269-51-2 | compound 25 [PMID: 21028894] | SCHEMBL13834955 | DB13019 | BDBM50331032 | Henatinib | UNII-TE20GB753F | 2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-1, 6, 7, 8-tet
Specifications & Purity
Moligand™
Mechanism of action
Vascular endothelial growth factor receptor 2 inhibitor
Names and Identifiers Canonical Smiles O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1\C(=O)Nc2c1cc(F)cc2)CN1CCOCC1 IUPAC Name 2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one InChIKey MCTXSDCWFQAGFS-UEXNTNOUSA-N INCHI 1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1 Isomeric SMILES CC1=C(NC2=C1C(=O)N(CCC2)C[C@@H](CN3CCOCC3)O)/C=C\4/C5=C(C=CC(=C5)F)NC4=O PubChem CID 25116064
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 Pyrroloazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrroloazepines Alternative Parents Indolines Azepines Aryl fluorides Substituted pyrroles Benzenoids Morpholines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Secondary alcohols Lactams Dialkyl ethers Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrroloazepine - Indole or derivatives - Dihydroindole - Azepine - Aryl fluoride - Aryl halide - Morpholine - Benzenoid - Oxazinane - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Alcohol - Amine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom. 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 468.500 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 468.217 Da Monoisotopic Mass 468.217 Da Topological Polar Surface Area 97.900 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 804.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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