2-(4-Nitroanilino)benzoic acid
TL;DR: 2-(4-Nitroanilino)benzoic acid (CAS 7221-31-0) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitroanilino)benzoic acid
Also Known As: 2-(4-nitroanilino)benzoic acid, 6-Methoxytryptamine, Anthranilic acid, N-p-nitrophenyl-, 2-((4-Nitrophenyl)amino)benzoic acid, N-p-Nitrophenylanthranilic acid
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 7221-31-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZZPQUGLIFJZPGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitroanilino)benzoic acid (CAS 7221-31-0), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 2-(4-nitroanilino)benzoic acid.
Chemical Property Profile of 2-(4-Nitroanilino)benzoic acid
Property Insights of 2-(4-Nitroanilino)benzoic acid
The XLogP value of 4.2 indicates that 2-(4-Nitroanilino)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 2-(4-Nitroanilino)benzoic acid. Following Lipinski's Rule of Five, 2-(4-Nitroanilino)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 2-(4-Nitroanilino)benzoic acid?
The CAS number of 2-(4-Nitroanilino)benzoic acid is 7221-31-0.
What is the molecular formula of 2-(4-Nitroanilino)benzoic acid?
The molecular formula of 2-(4-Nitroanilino)benzoic acid is C13H10N2O4.
What is the molecular weight of 2-(4-Nitroanilino)benzoic acid?
The molecular weight of 2-(4-Nitroanilino)benzoic acid is 258.06 g/mol.
Where can I buy 2-(4-Nitroanilino)benzoic acid?
You can request a quote for 2-(4-Nitroanilino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitroanilino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitroanilino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.