(E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
TL;DR: (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid (CAS 1237743-76-8) is a chemical compound with molecular formula C23H15N3O5 and molecular weight 413.10117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
Also Known As: BAS 01913983, (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, 3-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid, 3-{2-[2-(4-Nitro-phenyl)-vinyl]-4-oxo-4H-quinazolin-3-yl}-benzoic acid, 3-{2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Technical Specifications
| Molecular Formula | C23H15N3O5 |
| Molecular Weight | 413.10117 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.10117 Da |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O |
| InChIKey | SFDYASXFGZGOKV-JLHYYAGUSA-N |
Chemical Property Profile of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
Property Insights of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
The XLogP value of 3.9 indicates that (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The CAS number of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is 1237743-76-8.
What is the molecular formula of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The molecular formula of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is C23H15N3O5.
What is the molecular weight of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The molecular weight of (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is 413.10117 g/mol.
Where can I buy (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
You can request a quote for (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-3-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.