4,4'-(Diazoamino)dibenzenesulfonic acid
TL;DR: 4,4'-(Diazoamino)dibenzenesulfonic acid (CAS 17596-06-4) is a chemical compound with molecular formula C12H11N3O6S2 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-sulfophenyl)iminohydrazinyl]benzenesulfonic acid
Also Known As: Allura Red Impurity 4, 4,4'-(Diazoamino)dibenzenesulfonic acid, 4,3-diyl)dibenzenesulfonic acid, 4,4'-(diazoamino)-dibenzenesulfonic acid, 4,4'-(1e)-triaz-1-ene-1,3-diyldibenzenesulfonic acid
| Molecular Formula | C12H11N3O6S2 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.00894 |
| Heavy Atoms | 23 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 17596-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NN=NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | AJMWXYSMAMYAIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-(Diazoamino)dibenzenesulfonic acid (CAS 17596-06-4), with molecular formula C12H11N3O6S2 and molecular weight 357.01 g/mol. IUPAC: 4-[2-(4-sulfophenyl)iminohydrazinyl]benzenesulfonic acid.
Chemical Property Profile of 4,4'-(Diazoamino)dibenzenesulfonic acid
Property Insights of 4,4'-(Diazoamino)dibenzenesulfonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(Diazoamino)dibenzenesulfonic acid. The TPSA of 162.0 Ų indicates high polarity, suggesting 4,4'-(Diazoamino)dibenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(Diazoamino)dibenzenesulfonic acid has 3 hydrogen bond donor(s) and 9 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 4,4'-(Diazoamino)dibenzenesulfonic acid?
The CAS number of 4,4'-(Diazoamino)dibenzenesulfonic acid is 17596-06-4.
What is the molecular formula of 4,4'-(Diazoamino)dibenzenesulfonic acid?
The molecular formula of 4,4'-(Diazoamino)dibenzenesulfonic acid is C12H11N3O6S2.
What is the molecular weight of 4,4'-(Diazoamino)dibenzenesulfonic acid?
The molecular weight of 4,4'-(Diazoamino)dibenzenesulfonic acid is 357.01 g/mol.
Where can I buy 4,4'-(Diazoamino)dibenzenesulfonic acid?
You can request a quote for 4,4'-(Diazoamino)dibenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Diazoamino)dibenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Diazoamino)dibenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.