3,5-Dinitroanthranilic acid
TL;DR: 3,5-Dinitroanthranilic acid (CAS 609-97-2) is a chemical compound with molecular formula C7H5N3O6 and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,5-dinitrobenzoic acid
Also Known As: 2-amino-3,5-dinitrobenzoic acid, 3,5-dinitroanthranilic acid, 3,5-Dinitroanthanilic acid, 3,5-Dinitroanthanilicacid, 2-Amino-3,5-dinitro-benzoic acid
| Molecular Formula | C7H5N3O6 |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 0.7834 |
| Topological Polar Surface Area | 149.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.01784 |
| Heavy Atoms | 16 |
| Complexity | 461.8907 |
Chemical Identifiers
| CAS Number | 609-97-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-Dinitroanthranilic acid (CAS 609-97-2), with molecular formula C7H5N3O6 and molecular weight 227.02 g/mol. IUPAC: 2-amino-3,5-dinitrobenzoic acid.
Chemical Property Profile of 3,5-Dinitroanthranilic acid
Property Insights of 3,5-Dinitroanthranilic acid
The XLogP value of 0.7834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitroanthranilic acid. The TPSA of 149.6 Ų indicates high polarity, suggesting 3,5-Dinitroanthranilic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitroanthranilic acid has 2 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 3,5-Dinitroanthranilic acid?
The CAS number of 3,5-Dinitroanthranilic acid is 609-97-2.
What is the molecular formula of 3,5-Dinitroanthranilic acid?
The molecular formula of 3,5-Dinitroanthranilic acid is C7H5N3O6.
What is the molecular weight of 3,5-Dinitroanthranilic acid?
The molecular weight of 3,5-Dinitroanthranilic acid is 227.02 g/mol.
Where can I buy 3,5-Dinitroanthranilic acid?
You can request a quote for 3,5-Dinitroanthranilic 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-Dinitroanthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitroanthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.