Phenolphthalein complexon
TL;DR: Phenolphthalein complexon (CAS 62698-58-2) is a chemical compound with molecular formula C30H24N2Na4O12 and molecular weight 696.09 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-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]acetate
Also Known As: Phenolphthalein complexon, phenolphthalein complexone, Phenolphthalexon tetrasodium, Phenolphthalein complexon tetrasodium, Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
| Molecular Formula | C30H24N2Na4O12 |
|---|---|
| Molecular Weight | 696.09 g/mol |
| LogP | -15.82 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 696.092 |
| Heavy Atoms | 48 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 62698-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)[O-])CC(=O)[O-])C4=CC(=C(C=C4)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | QUTZXSTYIVWJQG-UHFFFAOYSA-J |
Product Overview
Phenolphthalein complexon (CAS 62698-58-2), with molecular formula C30H24N2Na4O12 and molecular weight 696.09 g/mol. IUPAC: tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]acetate.
Chemical Property Profile of Phenolphthalein complexon
Property Insights of Phenolphthalein complexon
The XLogP value of -15.82 indicates that Phenolphthalein complexon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting Phenolphthalein complexon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenolphthalein complexon 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 Phenolphthalein complexon?
The CAS number of Phenolphthalein complexon is 62698-58-2.
What is the molecular formula of Phenolphthalein complexon?
The molecular formula of Phenolphthalein complexon is C30H24N2Na4O12.
What is the molecular weight of Phenolphthalein complexon?
The molecular weight of Phenolphthalein complexon is 696.09 g/mol.
Where can I buy Phenolphthalein complexon?
You can request a quote for Phenolphthalein complexon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenolphthalein complexon?
Yes, KEHONG BIO provides custom synthesis services for Phenolphthalein complexon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.