4-Amino-3,5-dinitrobenzenesulfonic acid
TL;DR: 4-Amino-3,5-dinitrobenzenesulfonic acid (CAS 98139-22-1) is a chemical compound with molecular formula C6H5N3O7S and molecular weight 262.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,5-dinitrobenzenesulfonic acid
Also Known As: 4-amino-3,5-dinitrobenzenesulfonic acid, 2,6-Dinitroanilin-4-Sulfosaure, 2.6-Dinitro-anilin-sulfonsaeure-(4), 4-amino-3,5-dinitro-benzenesulfonic Acid, 4-Amino-3,5-dinitrobenzene-1-sulfonic acid
| Molecular Formula | C6H5N3O7S |
|---|---|
| Molecular Weight | 262.98 g/mol |
| LogP | 0.3319 |
| Topological Polar Surface Area | 166.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.98483 |
| Heavy Atoms | 17 |
| Complexity | 573.0302 |
Chemical Identifiers
| CAS Number | 98139-22-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
4-Amino-3,5-dinitrobenzenesulfonic acid (CAS 98139-22-1), with molecular formula C6H5N3O7S and molecular weight 262.98 g/mol. IUPAC: 4-amino-3,5-dinitrobenzenesulfonic acid.
Chemical Property Profile of 4-Amino-3,5-dinitrobenzenesulfonic acid
Property Insights of 4-Amino-3,5-dinitrobenzenesulfonic acid
The XLogP value of 0.3319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dinitrobenzenesulfonic acid. The TPSA of 166.67 Ų indicates high polarity, suggesting 4-Amino-3,5-dinitrobenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-3,5-dinitrobenzenesulfonic 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-dinitrobenzenesulfonic acid?
The CAS number of 4-Amino-3,5-dinitrobenzenesulfonic acid is 98139-22-1.
What is the molecular formula of 4-Amino-3,5-dinitrobenzenesulfonic acid?
The molecular formula of 4-Amino-3,5-dinitrobenzenesulfonic acid is C6H5N3O7S.
What is the molecular weight of 4-Amino-3,5-dinitrobenzenesulfonic acid?
The molecular weight of 4-Amino-3,5-dinitrobenzenesulfonic acid is 262.98 g/mol.
Where can I buy 4-Amino-3,5-dinitrobenzenesulfonic acid?
You can request a quote for 4-Amino-3,5-dinitrobenzenesulfonic 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-dinitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dinitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.