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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid - ≥98% , CAS No.905589-98-2
Synonyms
Z57044268 | DTXSID601331234 | NUMFTJJYFCUIDI-UHFFFAOYSA-N | HMS2731I11 | AKOS005198758 | 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid | EN300-11420 | MLS001002735 | WAY-638861 | 1-benzyl-3-phenylpyrazole-4-carboxylic acid | SMR000369195 | MFCD06364990
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% 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.
Descripción general FXR inhibitor; diacylglycerol acyltransferase inhibitor;
Specifications Sinónimos
Z57044268 | DTXSID601331234 | NUMFTJJYFCUIDI-UHFFFAOYSA-N | HMS2731I11 | AKOS005198758 | 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid | EN300-11420 | MLS001002735 | WAY-638861 | 1-benzyl-3-phenylpyrazole-4-carboxylic acid | SMR000369195 | MFCD06364990
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Propiedades del producto ALogP 3.64 Enlace rotable 4
Nombres e identificadores Pubchem Sid 488192143 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488192143 Sonrisas canónicas C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)O IUPAC Name 1-benzyl-3-phenylpyrazole-4-carboxylic acid InChIKey NUMFTJJYFCUIDI-UHFFFAOYSA-N INCHI 1S/C17H14N2O2/c20-17(21)15-12-19(11-13-7-3-1-4-8-13)18-16(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21) Isómeros SMILES C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)O PubChem CID 2566102 Peso molecular 278.31
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 Clase Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazole carboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Pyrazole-4-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. 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.
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 DMSO (mM) Solubilidad máxima 10 Peso molecular 278.300 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 278.106 Da Monoisotopic Mass 278.106 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 349.000 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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