Piroxicam Cinnamate - ≥99% , CAS No.87234-24-0

CAS: 87234-24-0 Cat. No.: P1050420 Molecular Weight: 461.500 EC Number: 643-086-0

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)/C=C/C3=CC=CC=C3)C(=O)NC4=CC=CC=N4
• IUPAC Name: [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] (E)-3-phenylprop-2-enoate
• InChIKey: GPUVGQIASQNZET-CCEZHUSRSA-N
• INCHI: 1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+
• Molecular Weight: 461.500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Alpha amino acids and derivatives Benzothiazines Styrenes N-arylamides Fatty acid esters Pyridines and derivatives Organosulfonamides 1,2-thiazines Imidolactams Heteroaromatic compounds Enol esters Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinnamic acid ester - Alpha-amino acid or derivatives - Benzothiazine - Styrene - N-arylamide - Fatty acid ester - Ortho-thiazine - Monocyclic benzene moiety - Pyridine - Fatty acyl - Organosulfonic acid amide - Imidolactam - Benzenoid - Enol ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 461.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 461.105 Da
• Monoisotopic Mass: 461.105 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 902.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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