2-Amino-5-nitroterephthalic acid
TL;DR: 2-Amino-5-nitroterephthalic acid (CAS 115705-50-5) 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.
2-amino-5-nitroterephthalic acid
Also Known As: 2-amino-5-nitroterephthalic acid, 2-amino-5-nitro-terephthalic acid, 2-amino-5-nitrobenzene-1,4-dicarboxylic acid
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 115705-50-5 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)C(=O)O)[N+](=O)[O-])C(=O)O |
| InChIKey | CSXWDSHGTHOAFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5-nitroterephthalic acid (CAS 115705-50-5), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: 2-amino-5-nitroterephthalic acid.
Chemical Property Profile of 2-Amino-5-nitroterephthalic acid
Property Insights of 2-Amino-5-nitroterephthalic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-nitroterephthalic acid. The TPSA of 146.0 Ų indicates high polarity, suggesting 2-Amino-5-nitroterephthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-5-nitroterephthalic acid has 3 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 2-Amino-5-nitroterephthalic acid?
The CAS number of 2-Amino-5-nitroterephthalic acid is 115705-50-5.
What is the molecular formula of 2-Amino-5-nitroterephthalic acid?
The molecular formula of 2-Amino-5-nitroterephthalic acid is C8H6N2O6.
What is the molecular weight of 2-Amino-5-nitroterephthalic acid?
The molecular weight of 2-Amino-5-nitroterephthalic acid is 226.02 g/mol.
Where can I buy 2-Amino-5-nitroterephthalic acid?
You can request a quote for 2-Amino-5-nitroterephthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-nitroterephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-nitroterephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.