Phthalein purple
TL;DR: Phthalein purple (CAS 62698-54-8) is a chemical compound with molecular formula C32H28N2Na4O12 and molecular weight 724.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate
Also Known As: Phthalein purple, 2-Cresolphthalexon, o-Cresolphthalein complexone tetrasodium salt, Phthalein Complexon Sodium Salt, PhthaleinComplexonSodiumSalt
| Molecular Formula | C32H28N2Na4O12 |
|---|---|
| Molecular Weight | 724.12 g/mol |
| LogP | -15.2 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 724.1233 |
| Heavy Atoms | 50 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 62698-54-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KSMPPVYJZJBIES-UHFFFAOYSA-J |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalein purple (CAS 62698-54-8), with molecular formula C32H28N2Na4O12 and molecular weight 724.12 g/mol. IUPAC: tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate.
Chemical Property Profile of Phthalein purple
Property Insights of Phthalein purple
The XLogP value of -15.2 indicates that Phthalein purple is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting Phthalein purple may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phthalein purple has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phthalein purple?
The CAS number of Phthalein purple is 62698-54-8.
What is the molecular formula of Phthalein purple?
The molecular formula of Phthalein purple is C32H28N2Na4O12.
What is the molecular weight of Phthalein purple?
The molecular weight of Phthalein purple is 724.12 g/mol.
Where can I buy Phthalein purple?
You can request a quote for Phthalein purple directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalein purple?
Yes, KEHONG BIO provides custom synthesis services for Phthalein purple and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.