4-Amino-3,5-dinitrobenzoic acid
TL;DR: 4-Amino-3,5-dinitrobenzoic acid (CAS 727-71-9) 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.
4-amino-3,5-dinitrobenzoic acid
Also Known As: 4-amino-3,5-dinitrobenzoic acid, Chrysanisic acid, ADBA compound, 4-tert-Butyl-L-phenylalanine, 4-Amino-2,6-dinitrobenzoic acid
| Molecular Formula | C7H5N3O6 |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.01784 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 727-71-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(=O)O |
| InChIKey | RMVUGEPUWQMQPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-dinitrobenzoic acid (CAS 727-71-9), with molecular formula C7H5N3O6 and molecular weight 227.02 g/mol. IUPAC: 4-amino-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-Amino-3,5-dinitrobenzoic acid
Property Insights of 4-Amino-3,5-dinitrobenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dinitrobenzoic acid. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-Amino-3,5-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-3,5-dinitrobenzoic acid has 2 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-Amino-3,5-dinitrobenzoic acid?
The CAS number of 4-Amino-3,5-dinitrobenzoic acid is 727-71-9.
What is the molecular formula of 4-Amino-3,5-dinitrobenzoic acid?
The molecular formula of 4-Amino-3,5-dinitrobenzoic acid is C7H5N3O6.
What is the molecular weight of 4-Amino-3,5-dinitrobenzoic acid?
The molecular weight of 4-Amino-3,5-dinitrobenzoic acid is 227.02 g/mol.
Where can I buy 4-Amino-3,5-dinitrobenzoic acid?
You can request a quote for 4-Amino-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-Amino-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.