![4-[(3-Nitrophenyl)methylamino]benzoic acid structure](/static/products/7377/7377-11-9.webp)
4-[(3-Nitrophenyl)methylamino]benzoic acid
TL;DR: 4-[(3-Nitrophenyl)methylamino]benzoic acid (CAS 7377-11-9) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-nitrophenyl)methylamino]benzoic acid
Also Known As: 4-[(3-nitrophenyl)methylamino]benzoic acid, 4-{[(3-Nitrophenyl)methyl]amino}benzoic acid
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 7377-11-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)C(=O)O |
| InChIKey | FMHVKIRQOQBBSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(3-Nitrophenyl)methylamino]benzoic acid (CAS 7377-11-9), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 4-[(3-nitrophenyl)methylamino]benzoic acid.
Chemical Property Profile of 4-[(3-Nitrophenyl)methylamino]benzoic acid
Property Insights of 4-[(3-Nitrophenyl)methylamino]benzoic acid
The XLogP value of 3.1 indicates that 4-[(3-Nitrophenyl)methylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Nitrophenyl)methylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Nitrophenyl)methylamino]benzoic acid has 2 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 4-[(3-Nitrophenyl)methylamino]benzoic acid?
The CAS number of 4-[(3-Nitrophenyl)methylamino]benzoic acid is 7377-11-9.
What is the molecular formula of 4-[(3-Nitrophenyl)methylamino]benzoic acid?
The molecular formula of 4-[(3-Nitrophenyl)methylamino]benzoic acid is C14H12N2O4.
What is the molecular weight of 4-[(3-Nitrophenyl)methylamino]benzoic acid?
The molecular weight of 4-[(3-Nitrophenyl)methylamino]benzoic acid is 272.08 g/mol.
Where can I buy 4-[(3-Nitrophenyl)methylamino]benzoic acid?
You can request a quote for 4-[(3-Nitrophenyl)methylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Nitrophenyl)methylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Nitrophenyl)methylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.