WAY-341085 - ≥95% , CAS No.383380-01-6

CAS: 383380-01-6 Cat. No.: W418517 Summenformel: C₁₉H₁₆N₂O₃S Molekulargewicht: 352.40694 PubChem CID: 1186253

GRADE & PURITY ≥95%

Storage

Room temperature

Übersicht

kinase inhibitors

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Produkteigenschaften

ALogP

3.196

HBD-Zahl

2

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

488191730

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191730

Kanonisches Lächeln

COC1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

IUPAC Name

2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

InChIKey

AZPFZZWTRTWSTD-UHFFFAOYSA-N

INCHI

1S/C19H16N2O3S/c1-24-14-9-7-13(8-10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22)(H,21,23)

Isomere SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

PubChem CID

1186253

Molekulargewicht

352.40694

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Thiophene carboxamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Anisole - Benzoyl - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Vinylogous amide - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 352.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 352.088 Da
• Monoisotopic Mass: 352.088 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 473.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 383380-01-6, the molecular formula is C19H16N2O3S, and the molecular weight is 352.40694 g/mol. InChIKey AZPFZZWTRTWSTD-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.