4-Methoxy-3,5-dinitrobenzoic acid
TL;DR: 4-Methoxy-3,5-dinitrobenzoic acid (CAS 86808-63-1) is a chemical compound with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3,5-dinitrobenzoic acid
Also Known As: 4-methoxy-3,5-dinitrobenzoic acid, 2,6-dinitro-4-carboxyanisole, benzoic acid, 4-methoxy-3,5-dinitro-, 4-Methoxy-3,5-dinitro-benzoic acid, 3,5-Dinitro-4-methoxybenzoic acid
| Molecular Formula | C8H6N2O7 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0175 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 86808-63-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
| InChIKey | VBLDFIFEVZSYAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-3,5-dinitrobenzoic acid (CAS 86808-63-1), with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol. IUPAC: 4-methoxy-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-Methoxy-3,5-dinitrobenzoic acid
Property Insights of 4-Methoxy-3,5-dinitrobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3,5-dinitrobenzoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-Methoxy-3,5-dinitrobenzoic acid has 1 hydrogen bond donor(s) and 7 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-3,5-dinitrobenzoic acid?
The CAS number of 4-Methoxy-3,5-dinitrobenzoic acid is 86808-63-1.
What is the molecular formula of 4-Methoxy-3,5-dinitrobenzoic acid?
The molecular formula of 4-Methoxy-3,5-dinitrobenzoic acid is C8H6N2O7.
What is the molecular weight of 4-Methoxy-3,5-dinitrobenzoic acid?
The molecular weight of 4-Methoxy-3,5-dinitrobenzoic acid is 242.02 g/mol.
Where can I buy 4-Methoxy-3,5-dinitrobenzoic acid?
You can request a quote for 4-Methoxy-3,5-dinitrobenzoic 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-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.