4-Amino-2,6-dinitrobenzoic acid
TL;DR: 4-Amino-2,6-dinitrobenzoic acid (CAS 114168-48-8) is a chemical compound with molecular formula C7H5N3O6 and molecular weight 227.01784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2,6-dinitrobenzoic acid
Also Known As: 4-Amino-2,6-dinitrobenzoic acid, Benzoic acid, 4-amino-2,6-dinitro-, Benzoic acid,4-amino-2,6-dinitro-, 4-amino-2,6-dinitro-benzoic Acid, 2,6-Dinitro-4-aminobenzoic acid
Technical Specifications
| Molecular Formula | C7H5N3O6 |
| Molecular Weight | 227.01784 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.01784 Da |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N |
| InChIKey | HRBPUPBLMZFYBP-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-2,6-dinitrobenzoic acid
Property Insights of 4-Amino-2,6-dinitrobenzoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,6-dinitrobenzoic acid. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-Amino-2,6-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-2,6-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
What is the CAS number of 4-Amino-2,6-dinitrobenzoic acid?
The CAS number of 4-Amino-2,6-dinitrobenzoic acid is 114168-48-8.
What is the molecular formula of 4-Amino-2,6-dinitrobenzoic acid?
The molecular formula of 4-Amino-2,6-dinitrobenzoic acid is C7H5N3O6.
What is the molecular weight of 4-Amino-2,6-dinitrobenzoic acid?
The molecular weight of 4-Amino-2,6-dinitrobenzoic acid is 227.01784 g/mol.
Where can I buy 4-Amino-2,6-dinitrobenzoic acid?
You can request a quote for 4-Amino-2,6-dinitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-2,6-dinitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Amino-2,6-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.