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Antioxidant agent-11

CAT: 0804-HY-153757-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153757-01Size:5 mg
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Description
Antioxidant agent-11 (compound 3d) is a compound that has weak anti-cancer and antioxidant activities[1].
CAS Number
474379-42-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/antioxidant-agent-11.html
Purity
95.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1NC(C2=CN(C3=CC=CC=C3)N=C2C4=CC=CC=C4)NC5=C1C=CC=C5
Molecular Formula
C23H18N4O
Molecular Weight
366.42
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Ramesh Navudu, et al. Synthesis, Anticancer and Antioxidant Evaluation of Some New 2-Aryl and 2-Pyrazole-2,3-dihydroquinazolin-4 (1H) -ones. Asian Journal of Chemistry. 2016, 28 (6) . 1321-1324.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(1,3-Diphenyl-1H-pyrazol-4-yl)-2,3-dihydroquinazolin-4(1H)-one
CAS Number474379-42-5
PubChem CID3285963
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
Molecular FormulaC23H18N4O
Molecular Weight366.4
XLogP4.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity543
SMILES
C1=CC=C(C=C1)C2=NN(C=C2C3NC4=CC=CC=C4C(=O)N3)C5=CC=CC=C5
InChI
InChI=1S/C23H18N4O/c28-23-18-13-7-8-14-20(18)24-22(25-23)19-15-27(17-11-5-2-6-12-17)26-21(19)16-9-3-1-4-10-16/h1-15,22,24H,(H,25,28)
InChIKey
CTHHXXYFGDTQHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1,3-Diphenyl-1H-pyrazol-4-yl)-2,3-dihydroquinazolin-4(1H)-one
CAS: 474379-42-5
CID: 3285963
Formula: C23H18N4O
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass366.14806121
Monoisotopic Mass366.14806121
Topological Polar Surface Area59 Ų
Heavy Atom Count28
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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