(E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
TL;DR: (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid (CAS 1237743-75-7) is a chemical compound with molecular formula C23H15N3O5 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
Also Known As: BAS 01506966, (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, 4-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid, 4-(2-(2-{4-nitrophenyl}vinyl)-4-oxo-3(4H)-quinazolinyl)benzoic acid, 4-{2-[2-(4-Nitro-phenyl)-vinyl]-4-oxo-4H-quinazolin-3-yl}-benzoic acid
| Molecular Formula | C23H15N3O5 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.1625 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.10117 |
| Heavy Atoms | 31 |
| Complexity | 1387.9158 |
Chemical Identifiers
| CAS Number | 1237743-75-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O |
Product Overview
(E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid (CAS 1237743-75-7), with molecular formula C23H15N3O5 and molecular weight 413.10 g/mol. IUPAC: 4-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid.
Chemical Property Profile of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
Property Insights of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
The XLogP value of 4.1625 indicates that (E)-4-(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 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The CAS number of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is 1237743-75-7.
What is the molecular formula of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The molecular formula of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is C23H15N3O5.
What is the molecular weight of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The molecular weight of (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid is 413.10 g/mol.
Where can I buy (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
You can request a quote for (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(4-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.