4-Amino-2-methoxy-5-nitrobenzoic acid
TL;DR: 4-Amino-2-methoxy-5-nitrobenzoic acid (CAS 59338-90-8) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-methoxy-5-nitrobenzoic acid
Also Known As: 4-amino-2-methoxy-5-nitrobenzoic acid, 4-Amino-5-nitro-o-anisic acid, Cinitapride Impurity 22, 4-amino-5-nitro-o-anisicacid, 2-methoxy-4-amino-5-nitrobenzoic acid
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 59338-90-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N |
| InChIKey | AOANPIGDKLHHIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-methoxy-5-nitrobenzoic acid (CAS 59338-90-8), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 4-amino-2-methoxy-5-nitrobenzoic acid.
Chemical Property Profile of 4-Amino-2-methoxy-5-nitrobenzoic acid
Property Insights of 4-Amino-2-methoxy-5-nitrobenzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-methoxy-5-nitrobenzoic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-methoxy-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Amino-2-methoxy-5-nitrobenzoic acid has 2 hydrogen bond donor(s) and 6 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-Amino-2-methoxy-5-nitrobenzoic acid?
The CAS number of 4-Amino-2-methoxy-5-nitrobenzoic acid is 59338-90-8.
What is the molecular formula of 4-Amino-2-methoxy-5-nitrobenzoic acid?
The molecular formula of 4-Amino-2-methoxy-5-nitrobenzoic acid is C8H8N2O5.
What is the molecular weight of 4-Amino-2-methoxy-5-nitrobenzoic acid?
The molecular weight of 4-Amino-2-methoxy-5-nitrobenzoic acid is 212.04 g/mol.
Where can I buy 4-Amino-2-methoxy-5-nitrobenzoic acid?
You can request a quote for 4-Amino-2-methoxy-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-methoxy-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-methoxy-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.