Disodium 1,3-benzenedisulfonate
TL;DR: Disodium 1,3-benzenedisulfonate (CAS 831-59-4) is a chemical compound with molecular formula C6H4Na2O6S2 and molecular weight 281.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;benzene-1,3-disulfonate
Also Known As: Disodium 1,3-benzenedisulfonate, disodium benzene-1,3-disulfonate, Sodium benzene-1,3-disulfonate, Disodium m-benzenedisulfonate, 1,3-Benzenedisulfonic Acid Disodium Salt
| Molecular Formula | C6H4Na2O6S2 |
|---|---|
| Molecular Weight | 281.92 g/mol |
| LogP | -6.5 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.92447 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 831-59-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | XWPWZOJBTOJEGW-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disodium 1,3-benzenedisulfonate (CAS 831-59-4), with molecular formula C6H4Na2O6S2 and molecular weight 281.92 g/mol. IUPAC: disodium;benzene-1,3-disulfonate.
Chemical Property Profile of Disodium 1,3-benzenedisulfonate
Property Insights of Disodium 1,3-benzenedisulfonate
The XLogP value of -6.5 indicates that Disodium 1,3-benzenedisulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium 1,3-benzenedisulfonate. Following Lipinski's Rule of Five, Disodium 1,3-benzenedisulfonate has 0 hydrogen bond donor(s) and 6 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 Disodium 1,3-benzenedisulfonate?
The CAS number of Disodium 1,3-benzenedisulfonate is 831-59-4.
What is the molecular formula of Disodium 1,3-benzenedisulfonate?
The molecular formula of Disodium 1,3-benzenedisulfonate is C6H4Na2O6S2.
What is the molecular weight of Disodium 1,3-benzenedisulfonate?
The molecular weight of Disodium 1,3-benzenedisulfonate is 281.92 g/mol.
Where can I buy Disodium 1,3-benzenedisulfonate?
You can request a quote for Disodium 1,3-benzenedisulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium 1,3-benzenedisulfonate?
Yes, KEHONG BIO provides custom synthesis services for Disodium 1,3-benzenedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.