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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items SR12813 - Moligand™ , Agonist of Pregnane X receptor, CAS No.126411-39-0, Agonist of Pregnane X 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
CHEBI:77317 | NCGC00165888-01 | 4-(2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL)-2,6-DITERT-BUTYLPHENOL | SR-12813GW 485801 | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | CCG-270273 | SALVIANOLIC ACID B (CO
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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 Sinónimos
CHEBI:77317 | NCGC00165888-01 | 4-(2, 2-BIS(DIETHOXYPHOSPHORYL)ETHENYL)-2, 6-DITERT-BUTYLPHENOL | SR-12813GW 485801 | [2-(3, 5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | CCG-270273 | SALVIANOLIC ACID B (CO
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
Agonist of Pregnane X receptor
Nombres e identificadores Sonrisas canónicas CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC IUPAC Name 4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol InChIKey YQLJDECYQDRSBI-UHFFFAOYSA-N INCHI 1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 Isómeros SMILES CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC CAS alternativo 126411-39-0 PubChem CID 446313 Términos de entrada MeSH SR 12813;SR-12813;tetra-ethyl-2,(3,5-di-tert-butyl-4-hydroxyphenyl)ethenyl-1,1-bisphosphonate Peso molecular 504.5
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 Organic acids and derivatives Clase Organic phosphonic acids and derivatives Subclass Bisphosphonates Intermediate Tree Nodes Not available Direct Parent Bisphosphonates Alternative Parents Phenylpropanes Phosphonic acid diesters Phenols Phosphonic acid esters Ketene acetals Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylpropane - Bisphosphonate - Phosphonic acid diester - Phenol - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Ketene acetal or derivatives - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms. External Descriptors phenols - organic phosphonate 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 504.500 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 13 Exact Mass 504.241 Da Monoisotopic Mass 504.241 Da Topological Polar Surface Area 91.300 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 660.000 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
Calculadoras de soluciones Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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