Ponceau S
TL;DR: Ponceau S (CAS 18472-87-2) is a chemical compound with molecular formula C22H12N4Na4O13S4 and molecular weight 759.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;3-hydroxy-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Ponceau S, Acid Red 112, Ponceau S Extra, Ponceau Red S, ponceau-s
| Molecular Formula | C22H12N4Na4O13S4 |
|---|---|
| Molecular Weight | 759.89 g/mol |
| LogP | -8.9914 |
| Topological Polar Surface Area | 298.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 759.88745 |
| Heavy Atoms | 47 |
| Complexity | 2305.0498 |
Chemical Identifiers
| CAS Number | 18472-87-2 |
|---|---|
| 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-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
Ponceau S (CAS 18472-87-2), with molecular formula C22H12N4Na4O13S4 and molecular weight 759.89 g/mol. IUPAC: tetrasodium;3-hydroxy-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of Ponceau S
Property Insights of Ponceau S
The XLogP value of -8.9914 indicates that Ponceau S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 298.47 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 1 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 18472-87-2.
What is the molecular formula of Ponceau S?
The molecular formula of Ponceau S is C22H12N4Na4O13S4.
What is the molecular weight of Ponceau S?
The molecular weight of Ponceau S is 759.89 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.