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· · COA & SDS available for every product · Same-day shipping on in-stock items Lefamulin - Moligand™, ≥98% , CAS No.1061337-51-6
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. ≥98% Synonyms
SCHEMBL19766421 | 1061337-51-6 (free base) | EX-A3600 | AKOS040759180 | [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(1R,2R,4R)-4-amino-2-hydroxycyclohexyl]sulfanylacetate | (3aS,4R,5S,6
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
SCHEMBL19766421 | 1061337-51-6 (free base) | EX-A3600 | AKOS040759180 | [(1S, 2R, 3S, 4S, 6R, 7R, 8R, 14R)-4-ethenyl-3-hydroxy-2, 4, 7, 14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01, 8]tetradecanyl] 2-[(1R, 2R, 4R)-4-amino-2-hydroxycyclohexyl]sulfanylacetate | (3aS, 4R, 5S, 6
Specifications & Purity
Moligand™, ≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C IUPAC Name [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(1R,2R,4R)-4-amino-2-hydroxycyclohexyl]sulfanylacetate InChIKey KPVIXBKIJXZQJX-FCEONZPQSA-N INCHI 1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1 Isomeric SMILES C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C Alternate CAS 1061337-51-6；1350636-82-6 MeSH Entry Terms BC-3781;lefamulin;Xenleta Molecular Weight 507.73
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 Lipids and lipid-like molecules Class Prenol lipids Subclass Diterpenoids Intermediate Tree Nodes Mutilane diterpenoids - Mutilin derivatives Direct Parent Pleuromutilin and derivatives Alternative Parents Cyclohexylamines Cyclohexanols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Molecular Framework Aliphatic homopolycyclic compounds Substituents Pleuromutilin - Cyclohexanol - Cyclohexylamine - Cyclic alcohol - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary alcohol - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organonitrogen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - Carbonyl group - Aliphatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene 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 507.700 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 507.302 Da Monoisotopic Mass 507.302 Da Topological Polar Surface Area 135.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 851.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 11 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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