5-Methyl-2,4-dinitrobenzoic acid
TL;DR: 5-Methyl-2,4-dinitrobenzoic acid (CAS 1723-15-5) 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.
5-methyl-2,4-dinitrobenzoic acid
Also Known As: 5-methyl-2,4-dinitrobenzoic acid, 5-methyl-2,4-dinitrobenzoicacid, 5-methyl-2,4-dinitro-benzoic acid, Benzoic acid, 5-methyl-2,4-dinitro-, A1079/0050654
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.50962 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 495.54706 |
Chemical Identifiers
| CAS Number | 1723-15-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Product Overview
5-Methyl-2,4-dinitrobenzoic acid (CAS 1723-15-5), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: 5-methyl-2,4-dinitrobenzoic acid.
Chemical Property Profile of 5-Methyl-2,4-dinitrobenzoic acid
Property Insights of 5-Methyl-2,4-dinitrobenzoic acid
The XLogP value of 1.50962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2,4-dinitrobenzoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2,4-dinitrobenzoic acid. Following Lipinski's Rule of Five, 5-Methyl-2,4-dinitrobenzoic 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 5-Methyl-2,4-dinitrobenzoic acid?
The CAS number of 5-Methyl-2,4-dinitrobenzoic acid is 1723-15-5.
What is the molecular formula of 5-Methyl-2,4-dinitrobenzoic acid?
The molecular formula of 5-Methyl-2,4-dinitrobenzoic acid is C8H6N2O6.
What is the molecular weight of 5-Methyl-2,4-dinitrobenzoic acid?
The molecular weight of 5-Methyl-2,4-dinitrobenzoic acid is 226.02 g/mol.
Where can I buy 5-Methyl-2,4-dinitrobenzoic acid?
You can request a quote for 5-Methyl-2,4-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2,4-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2,4-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.