Phenolphthalexon
TL;DR: Phenolphthalexon (CAS 25296-54-2) is a chemical compound with molecular formula C30H28N2O12 and molecular weight 608.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid
Also Known As: Phenolphthalexon, phenolphthalein complexone, PPC[Dotite], PHENOLPHTHALEXONE, PHENOLPHTHALEINCOMPLEXONE
| Molecular Formula | C30H28N2O12 |
|---|---|
| Molecular Weight | 608.16 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 608.16425 |
| Heavy Atoms | 44 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 25296-54-2 |
|---|---|
| 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 |
| InChIKey | QHKMTHBQSIKVAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenolphthalexon (CAS 25296-54-2), with molecular formula C30H28N2O12 and molecular weight 608.16 g/mol. IUPAC: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Phenolphthalexon
Property Insights of Phenolphthalexon
The XLogP value of -2.7 indicates that Phenolphthalexon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting Phenolphthalexon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenolphthalexon has 6 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 Phenolphthalexon?
The CAS number of Phenolphthalexon is 25296-54-2.
What is the molecular formula of Phenolphthalexon?
The molecular formula of Phenolphthalexon is C30H28N2O12.
What is the molecular weight of Phenolphthalexon?
The molecular weight of Phenolphthalexon is 608.16 g/mol.
Where can I buy Phenolphthalexon?
You can request a quote for Phenolphthalexon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenolphthalexon?
Yes, KEHONG BIO provides custom synthesis services for Phenolphthalexon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.