2-Methyl-3,5-dinitrobenzoic acid
TL;DR: 2-Methyl-3,5-dinitrobenzoic acid (CAS 28169-46-2) is a chemical compound with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,5-dinitrobenzoic acid
Also Known As: 2-Methyl-3,5-dinitrobenzoic acid, 3,5-Dinitro-o-toluic acid, 3,5-Dinitro-2-methylbenzoic acid, Benzoic acid, 2-methyl-3,5-dinitro-, 3,5-Dinitrotoluic acid
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 28169-46-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | CDVNZMKTJIBBBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3,5-dinitrobenzoic acid (CAS 28169-46-2), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: 2-methyl-3,5-dinitrobenzoic acid.
Chemical Property Profile of 2-Methyl-3,5-dinitrobenzoic acid
Property Insights of 2-Methyl-3,5-dinitrobenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3,5-dinitrobenzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 2-Methyl-3,5-dinitrobenzoic acid has 1 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 2-Methyl-3,5-dinitrobenzoic acid?
The CAS number of 2-Methyl-3,5-dinitrobenzoic acid is 28169-46-2.
What is the molecular formula of 2-Methyl-3,5-dinitrobenzoic acid?
The molecular formula of 2-Methyl-3,5-dinitrobenzoic acid is C8H6N2O6.
What is the molecular weight of 2-Methyl-3,5-dinitrobenzoic acid?
The molecular weight of 2-Methyl-3,5-dinitrobenzoic acid is 226.02 g/mol.
Where can I buy 2-Methyl-3,5-dinitrobenzoic acid?
You can request a quote for 2-Methyl-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 2-Methyl-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.