Chlorsulphalein
TL;DR: Chlorsulphalein (CAS 5182-09-2) is a chemical compound with molecular formula C20H8Cl4Na2O10S2 and molecular weight 657.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-hydroxy-5-[4,5,6,7-tetrachloro-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
Also Known As: Chlorsulphalein, Chlorsulphthalein, Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrachloro-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-, disodium salt, Phenolphthalein, 4,5,6,7-tetrachloro-3',3''-disulfo-, disodium salt (7CI,8CI), Phenolphthalein, 4,5,6,7-tetrachloro-3',3''-disulfo-, disodium salt
| Molecular Formula | C20H8Cl4Na2O10S2 |
|---|---|
| Molecular Weight | 657.81 g/mol |
| LogP | -2.0101 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 657.81085 |
| Heavy Atoms | 38 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 5182-09-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | SSYPHMUPVFBBAV-UHFFFAOYSA-L |
Product Overview
Chlorsulphalein (CAS 5182-09-2), with molecular formula C20H8Cl4Na2O10S2 and molecular weight 657.81 g/mol. IUPAC: disodium;2-hydroxy-5-[4,5,6,7-tetrachloro-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate.
Chemical Property Profile of Chlorsulphalein
Property Insights of Chlorsulphalein
The XLogP value of -2.0101 indicates that Chlorsulphalein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting Chlorsulphalein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorsulphalein has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorsulphalein?
The CAS number of Chlorsulphalein is 5182-09-2.
What is the molecular formula of Chlorsulphalein?
The molecular formula of Chlorsulphalein is C20H8Cl4Na2O10S2.
What is the molecular weight of Chlorsulphalein?
The molecular weight of Chlorsulphalein is 657.81 g/mol.
Where can I buy Chlorsulphalein?
You can request a quote for Chlorsulphalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorsulphalein?
Yes, KEHONG BIO provides custom synthesis services for Chlorsulphalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.