o-Cresolphthalein complexone
TL;DR: o-Cresolphthalein complexone (CAS 2411-89-4) is a chemical compound with molecular formula C32H32N2O12 and molecular weight 636.20 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-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
Also Known As: o-Cresolphthalein complexone, Phthalein purple, Cresolphthalexon, o-Cresolphthalexon, metalphthalein
| Molecular Formula | C32H32N2O12 |
|---|---|
| Molecular Weight | 636.20 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 636.1955 |
| Heavy Atoms | 46 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 2411-89-4 |
|---|---|
| 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 |
| InChIKey | IYZPEGVSBUNMBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Cresolphthalein complexone (CAS 2411-89-4), with molecular formula C32H32N2O12 and molecular weight 636.20 g/mol. IUPAC: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of o-Cresolphthalein complexone
Property Insights of o-Cresolphthalein complexone
The XLogP value of -2.0 indicates that o-Cresolphthalein complexone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting o-Cresolphthalein complexone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, o-Cresolphthalein complexone 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 o-Cresolphthalein complexone?
The CAS number of o-Cresolphthalein complexone is 2411-89-4.
What is the molecular formula of o-Cresolphthalein complexone?
The molecular formula of o-Cresolphthalein complexone is C32H32N2O12.
What is the molecular weight of o-Cresolphthalein complexone?
The molecular weight of o-Cresolphthalein complexone is 636.20 g/mol.
Where can I buy o-Cresolphthalein complexone?
You can request a quote for o-Cresolphthalein complexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresolphthalein complexone?
Yes, KEHONG BIO provides custom synthesis services for o-Cresolphthalein complexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.