2,2'-Benzidinedisulfonic acid
TL;DR: 2,2'-Benzidinedisulfonic acid (CAS 117-61-3) is a chemical compound with molecular formula C12H12N2O6S2 and molecular weight 344.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
Also Known As: 2,2'-Benzidinedisulfonic acid, Benzidine-2,2'-disulfonic acid, 6,6'-Bimetanilic acid, 2,2'-Disulfobenzidine, Benzidine, 2,2'-disulfo-
| Molecular Formula | C12H12N2O6S2 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.01367 |
| Heavy Atoms | 22 |
| Complexity | 540.0 |
| Melting Point | 175.0 °C (decomposes) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 117-61-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O |
| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Benzidinedisulfonic acid (CAS 117-61-3), with molecular formula C12H12N2O6S2 and molecular weight 344.01 g/mol. IUPAC: 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid.
Chemical Property Profile of 2,2'-Benzidinedisulfonic acid
Property Insights of 2,2'-Benzidinedisulfonic acid
The XLogP value of -0.3 indicates that 2,2'-Benzidinedisulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting 2,2'-Benzidinedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Benzidinedisulfonic acid has 4 hydrogen bond donor(s) and 8 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 2,2'-Benzidinedisulfonic acid?
The CAS number of 2,2'-Benzidinedisulfonic acid is 117-61-3.
What is the molecular formula of 2,2'-Benzidinedisulfonic acid?
The molecular formula of 2,2'-Benzidinedisulfonic acid is C12H12N2O6S2.
What is the molecular weight of 2,2'-Benzidinedisulfonic acid?
The molecular weight of 2,2'-Benzidinedisulfonic acid is 344.01 g/mol.
Where can I buy 2,2'-Benzidinedisulfonic acid?
You can request a quote for 2,2'-Benzidinedisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Benzidinedisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Benzidinedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.