JK-P3 - ≥98% , CAS No.942655-44-9

CAS: 942655-44-9 Cat. No.: J404613 Formula: C₁₈H₁₇N₃O₃ Molecular Weight: 323.35 EC Number: 804-551-5

GRADE & PURITY ≥98%

Synonyms

4Y0 | N16805 | JK-P3 | BCP32785 | AKOS035612806 | AS-77478 | JK-P3, >=98% (HPLC) | MFCD22666405 | HY-108933 | Q27455260 | J0012 | 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide | 3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)-benzamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4Y0 | N16805 | JK-P3 | BCP32785 | AKOS035612806 | AS-77478 | JK-P3, >=98% (HPLC) | MFCD22666405 | HY-108933 | Q27455260 | J0012 | 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide | 3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)-benzamide

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770122
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770122
• Canonical Smiles: COC1=C(C=C(C=C1)C(=O)NC2=NNC(=C2)C3=CC=CC=C3)OC
• IUPAC Name: 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
• InChIKey: QAZJUVDICQNITG-UHFFFAOYSA-N
• INCHI: 1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)
• Isomeric SMILES: COC1=C(C=C(C=C1)C(=O)NC2=NNC(=C2)C3=CC=CC=C3)OC
• WGK Germany: 3
• Molecular Weight: 323.35
• Reaxy-Rn: 22789743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22789743&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Dimethoxybenzenes Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Dimethoxybenzene - O-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Molecular Weight: 323.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 323.127 Da
• Monoisotopic Mass: 323.127 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 414.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 942655-44-9, the molecular formula is C18H17N3O3, and the molecular weight is 323.35 g/mol. InChIKey QAZJUVDICQNITG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.