4-Methoxy-3-nitrobenzoic acid
TL;DR: 4-Methoxy-3-nitrobenzoic acid (CAS 89-41-8) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-nitrobenzoic acid
Also Known As: 4-Methoxy-3-nitrobenzoic acid, 3-Nitro-p-anisic acid, 3-Nitro-4-methoxybenzoic acid, Benzoic acid, 4-methoxy-3-nitro-, p-Anisic acid, 3-nitro-
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 89-41-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | ANXBDAFDZSXOPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-3-nitrobenzoic acid (CAS 89-41-8), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 4-methoxy-3-nitrobenzoic acid.
Chemical Property Profile of 4-Methoxy-3-nitrobenzoic acid
Property Insights of 4-Methoxy-3-nitrobenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-nitrobenzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Methoxy-3-nitrobenzoic 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
Frequently Asked Questions
What is the CAS number of 4-Methoxy-3-nitrobenzoic acid?
The CAS number of 4-Methoxy-3-nitrobenzoic acid is 89-41-8.
What is the molecular formula of 4-Methoxy-3-nitrobenzoic acid?
The molecular formula of 4-Methoxy-3-nitrobenzoic acid is C8H7NO5.
What is the molecular weight of 4-Methoxy-3-nitrobenzoic acid?
The molecular weight of 4-Methoxy-3-nitrobenzoic acid is 197.03 g/mol.
Where can I buy 4-Methoxy-3-nitrobenzoic acid?
You can request a quote for 4-Methoxy-3-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-Methoxy-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.