6-Methoxy-7-hydroxyquinazolin-4-one - ≥97% , CAS No.162012-72-8

CAS: 162012-72-8 Cat. No.: H174630 Summenformel: C₉H₈N₂O₃ Molekulargewicht: 192.174 EG-Nummer: 810-284-5

GRADE & PURITY ≥97%

Synonyms

7-HYDROXY-6-METHOXY-3H-QUINAZOLIN-4-ONE | GS-6479 | 7-hydroxy-6-methoxyquinazolin-4-(3H)-one | 7-HYDROXY-6-METHOXYQUINAZOLIN-4(3H)-ONE | DTXSID80597261 | S10435 | SY007916 | 7-hydroxy-6-methoxyquinazolin-4(1H)-one | GS-3778 | A810326 | AM20090779 | 7-HYDR

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

7-HYDROXY-6-METHOXY-3H-QUINAZOLIN-4-ONE | GS-6479 | 7-hydroxy-6-methoxyquinazolin-4-(3H)-one | 7-HYDROXY-6-METHOXYQUINAZOLIN-4(3H)-ONE | DTXSID80597261 | S10435 | SY007916 | 7-hydroxy-6-methoxyquinazolin-4(1H)-one | GS-3778 | A810326 | AM20090779 | 7-HYDR

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504773404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773404

Kanonisches Lächeln

COC1=C(C=C2C(=C1)C(=O)NC=N2)O

IUPAC Name

7-hydroxy-6-methoxy-3H-quinazolin-4-one

InChIKey

ZHLRYPLSYOYNQM-UHFFFAOYSA-N

INCHI

1S/C9H8N2O3/c1-14-8-2-5-6(3-7(8)12)10-4-11-9(5)13/h2-4,12H,1H3,(H,10,11,13)

Isomere SMILES

COC1=C(C=C2C(=C1)C(=O)NC=N2)O

Molekulargewicht

192.174

Reaxy-Rn

10157458

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10157458&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Anisoles Pyrimidones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Phenol - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

• Molekulargewicht: 192.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.053 Da
• Monoisotopic Mass: 192.053 Da
• Topological Polar Surface Area: 70.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 267.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 162012-72-8, the molecular formula is C9H8N2O3, and the molecular weight is 192.174 g/mol. InChIKey ZHLRYPLSYOYNQM-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.