4-(4-Nitrophenoxy)benzoic acid
TL;DR: 4-(4-Nitrophenoxy)benzoic acid (CAS 16386-65-5) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-nitrophenoxy)benzoic acid
Also Known As: 4-(4-Nitrophenoxy)benzoic acid, Not Available, Benzoic acid, 4-(4-nitrophenoxy)-, 4-(4-Nitrophenoxy)benzoicacid, Benzoic acid,4-(4-nitrophenoxy)-
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9NO5 |
| Molecular Weight | 259.04807 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04807 Da |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XTVBFFGZCMYUJX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Nitrophenoxy)benzoic acid
Property Insights of 4-(4-Nitrophenoxy)benzoic acid
The XLogP value of 3.4 indicates that 4-(4-Nitrophenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrophenoxy)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Nitrophenoxy)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
What is the CAS number of 4-(4-Nitrophenoxy)benzoic acid?
The CAS number of 4-(4-Nitrophenoxy)benzoic acid is 16386-65-5.
What is the molecular formula of 4-(4-Nitrophenoxy)benzoic acid?
The molecular formula of 4-(4-Nitrophenoxy)benzoic acid is C13H9NO5.
What is the molecular weight of 4-(4-Nitrophenoxy)benzoic acid?
The molecular weight of 4-(4-Nitrophenoxy)benzoic acid is 259.04807 g/mol.
Where can I buy 4-(4-Nitrophenoxy)benzoic acid?
You can request a quote for 4-(4-Nitrophenoxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Nitrophenoxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Nitrophenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.