AXT914 - Moligand™ , CAS No.A607824

CAS: A607824 Cat. No.: A607824 PubChem CID: 119026214

GRADE & PURITY Moligand™

Synonyms

AXT-914

Storage

Room temperature

Specifications

Sinonimi

AXT-914

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Nomi e identificatori

• Sorrisi canonici: C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccc2c(c1)ncc(n2)Br)c1ccc(cc1)C(C)C
• IUPAC Name: 1-[(2-bromoquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
• InChIKey: ALANRBCCCQEPFZ-UHFFFAOYSA-N
• INCHI: 1S/C29H23BrN4O2/c1-4-13-36-22-10-12-26-23(15-22)28(21-8-6-20(7-9-21)18(2)3)33-29(35)34(26)17-19-5-11-24-25(14-19)31-16-27(30)32-24/h1,5-12,14-16,18H,13,17H2,2-3H3
• Isomeri SMILES: CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC5=NC=C(N=C5C=C4)Br
• PubChem CID: 119026214

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Quinoxalines Quinazolines Aromatic monoterpenoids Phenylpropanes Cumenes Pyrimidones Alkyl aryl ethers Pyrazines Aryl bromides Heteroaromatic compounds Acetylides Azacyclic compounds Organopnictogen compounds Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - 5-phenylpyrimidine - Diazanaphthalene - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Quinazoline - Quinoxaline - Cumene - Phenylpropane - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Acetylide - Ether - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is A607824. InChIKey ALANRBCCCQEPFZ-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.