TL;DR: 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- (CAS 108664-31-9) is a chemical compound with molecular formula C23H16N2O2 and molecular weight 352.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-oxo-3-(4-phenylphenyl)prop-1-en-2-yl]quinazolin-4-one
Also Known As: 3-[1-(4-phenylbenzoyl)vinyl]quinazolin-4-one, 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)-, 3-[3-oxo-3-(4-phenylphenyl)prop-1-en-2-yl]quinazolin-4-one, 3-[3-([1,1'-Biphenyl]-4-yl)-3-oxoprop-1-en-2-yl]quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-[1-([1,1'-biphenyl]-4-ylcarbonyl)ethenyl]-
| Molecular Formula | C23H16N2O2 |
| Molecular Weight | 352.1212 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1212 Da |
| Heavy Atoms | 27 |
| Complexity | 612.0 |
| SMILES | C=C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O |
| InChIKey | XMGUPWMIYBAPSK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- is 108664-31-9.
The molecular formula of 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- is C23H16N2O2.
The molecular weight of 4(3H)-Quinazolinone, 3-(1-((1,1'-biphenyl)-4-ylcarbonyl)ethenyl)- is 352.1212 g/mol.
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