Ammonium 5-amino-2-nitrobenzenesulphonate
TL;DR: Ammonium 5-amino-2-nitrobenzenesulphonate (CAS 71411-69-3) is a chemical compound with molecular formula C6H9N3O5S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-nitrobenzenesulfonic acid;azane
Also Known As: ammonium 5-amino-2-nitrobenzenesulfonate, Ammonium 5-amino-2-nitrobenzenesulphonate, 5-amino-2-nitrobenzenesulfonic acid; azane, 5-Amino-2-nitrobenzene-1-sulfonic acid--ammonia (1/1), EINECS 275-373-8
| Molecular Formula | C6H9N3O5S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 0.59 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.02629 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 71411-69-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)S(=O)(=O)O)[N+](=O)[O-].N |
| InChIKey | PYYHPWAJORDQFM-UHFFFAOYSA-N |
Product Overview
Ammonium 5-amino-2-nitrobenzenesulphonate (CAS 71411-69-3), with molecular formula C6H9N3O5S and molecular weight 235.03 g/mol. IUPAC: 5-amino-2-nitrobenzenesulfonic acid;azane.
Chemical Property Profile of Ammonium 5-amino-2-nitrobenzenesulphonate
Property Insights of Ammonium 5-amino-2-nitrobenzenesulphonate
The XLogP value of 0.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 5-amino-2-nitrobenzenesulphonate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 5-amino-2-nitrobenzenesulphonate. Following Lipinski's Rule of Five, Ammonium 5-amino-2-nitrobenzenesulphonate 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 Ammonium 5-amino-2-nitrobenzenesulphonate?
The CAS number of Ammonium 5-amino-2-nitrobenzenesulphonate is 71411-69-3.
What is the molecular formula of Ammonium 5-amino-2-nitrobenzenesulphonate?
The molecular formula of Ammonium 5-amino-2-nitrobenzenesulphonate is C6H9N3O5S.
What is the molecular weight of Ammonium 5-amino-2-nitrobenzenesulphonate?
The molecular weight of Ammonium 5-amino-2-nitrobenzenesulphonate is 235.03 g/mol.
Where can I buy Ammonium 5-amino-2-nitrobenzenesulphonate?
You can request a quote for Ammonium 5-amino-2-nitrobenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 5-amino-2-nitrobenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 5-amino-2-nitrobenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.