Ponceau S
TL;DR: Ponceau S (CAS 25317-44-6) is a chemical compound with molecular formula C22H16N4O13S4 and molecular weight 671.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: Ponceau S, Ponceau S Extra, Ponceau Red S, Ponceau S free acid, Ponceau S (acid form)
| Molecular Formula | C22H16N4O13S4 |
|---|---|
| Molecular Weight | 671.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 671.95966 |
| Heavy Atoms | 43 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 25317-44-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | KMNTUASVUKNVJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ponceau S (CAS 25317-44-6), with molecular formula C22H16N4O13S4 and molecular weight 671.96 g/mol. IUPAC: 3-hydroxy-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of Ponceau S
Property Insights of Ponceau S
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ponceau S. The TPSA of 321.0 Ų indicates high polarity, suggesting Ponceau S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ponceau S has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ponceau S?
The CAS number of Ponceau S is 25317-44-6.
What is the molecular formula of Ponceau S?
The molecular formula of Ponceau S is C22H16N4O13S4.
What is the molecular weight of Ponceau S?
The molecular weight of Ponceau S is 671.96 g/mol.
Where can I buy Ponceau S?
You can request a quote for Ponceau S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ponceau S?
Yes, KEHONG BIO provides custom synthesis services for Ponceau S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.