3-(o-Nitrophenyl)-2-phenylacrylic acid
TL;DR: 3-(o-Nitrophenyl)-2-phenylacrylic acid (CAS 5345-40-4) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)-2-phenylprop-2-enoic acid
Also Known As: o-Nitro-alpha-phenylzimtsaure, NCIOpen2_005506, 3-(o-Nitrophenyl)-2-phenylpropenoic acid, 3-(o-Nitrophenyl)-2-phenylacrylic acid, NCI60_014386
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 5345-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)O |
| InChIKey | YLWQPIVSPODKCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(o-Nitrophenyl)-2-phenylacrylic acid (CAS 5345-40-4), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 3-(2-nitrophenyl)-2-phenylprop-2-enoic acid.
Chemical Property Profile of 3-(o-Nitrophenyl)-2-phenylacrylic acid
Property Insights of 3-(o-Nitrophenyl)-2-phenylacrylic acid
The XLogP value of 3.3 indicates that 3-(o-Nitrophenyl)-2-phenylacrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(o-Nitrophenyl)-2-phenylacrylic acid. Following Lipinski's Rule of Five, 3-(o-Nitrophenyl)-2-phenylacrylic acid has 1 hydrogen bond donor(s) and 4 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 3-(o-Nitrophenyl)-2-phenylacrylic acid?
The CAS number of 3-(o-Nitrophenyl)-2-phenylacrylic acid is 5345-40-4.
What is the molecular formula of 3-(o-Nitrophenyl)-2-phenylacrylic acid?
The molecular formula of 3-(o-Nitrophenyl)-2-phenylacrylic acid is C15H11NO4.
What is the molecular weight of 3-(o-Nitrophenyl)-2-phenylacrylic acid?
The molecular weight of 3-(o-Nitrophenyl)-2-phenylacrylic acid is 269.07 g/mol.
Where can I buy 3-(o-Nitrophenyl)-2-phenylacrylic acid?
You can request a quote for 3-(o-Nitrophenyl)-2-phenylacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(o-Nitrophenyl)-2-phenylacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(o-Nitrophenyl)-2-phenylacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.