3,5-Dinitro-2-methoxybenzoic acid
TL;DR: 3,5-Dinitro-2-methoxybenzoic acid (CAS 6083-67-6) 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.
2-methoxy-3,5-dinitrobenzoic acid
Also Known As: 2-Methoxy-3,5-dinitrobenzoic acid, 3,5-Dinitro-2-methoxybenzoic acid, 2-Methoxy-3,5-dinitrobenzoic acid #
| Molecular Formula | C8H6N2O7 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.1 |
| 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 | 334.0 |
Chemical Identifiers
| CAS Number | 6083-67-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | PZYVEKZGHNZKIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitro-2-methoxybenzoic acid (CAS 6083-67-6), with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol. IUPAC: 2-methoxy-3,5-dinitrobenzoic acid.
Chemical Property Profile of 3,5-Dinitro-2-methoxybenzoic acid
Property Insights of 3,5-Dinitro-2-methoxybenzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-2-methoxybenzoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 3,5-Dinitro-2-methoxybenzoic 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 3,5-Dinitro-2-methoxybenzoic acid?
The CAS number of 3,5-Dinitro-2-methoxybenzoic acid is 6083-67-6.
What is the molecular formula of 3,5-Dinitro-2-methoxybenzoic acid?
The molecular formula of 3,5-Dinitro-2-methoxybenzoic acid is C8H6N2O7.
What is the molecular weight of 3,5-Dinitro-2-methoxybenzoic acid?
The molecular weight of 3,5-Dinitro-2-methoxybenzoic acid is 242.02 g/mol.
Where can I buy 3,5-Dinitro-2-methoxybenzoic acid?
You can request a quote for 3,5-Dinitro-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.