1,3-Benzenedisulfonic acid, 4-amino-, sodium salt
TL;DR: 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt (CAS 63589-41-3) is a chemical compound with molecular formula C6H5NNa2O6S2 and molecular weight 296.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-aminobenzene-1,3-disulfonate
Also Known As: disodium 4-aminobenzene-1,3-disulfonate, 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt, Sodium hydrogen aniline-2,4-disulphonate, Aniline-2,4-disulfonic acid, sodium salt, Sodium hydrogen aniline-2,4-disulfonate
| Molecular Formula | C6H5NNa2O6S2 |
|---|---|
| Molecular Weight | 296.94 g/mol |
| LogP | -6.92 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.93536 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 63589-41-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | OIZLWWGSWBNNAM-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedisulfonic acid, 4-amino-, sodium salt (CAS 63589-41-3), with molecular formula C6H5NNa2O6S2 and molecular weight 296.94 g/mol. IUPAC: disodium;4-aminobenzene-1,3-disulfonate.
Chemical Property Profile of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt
Property Insights of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt
The XLogP value of -6.92 indicates that 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt has 1 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 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt?
The CAS number of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt is 63589-41-3.
What is the molecular formula of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt?
The molecular formula of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt is C6H5NNa2O6S2.
What is the molecular weight of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt?
The molecular weight of 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt is 296.94 g/mol.
Where can I buy 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt?
You can request a quote for 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedisulfonic acid, 4-amino-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.