Alizarin complexone
TL;DR: Alizarin complexone (CAS 3952-78-1) is a chemical compound with molecular formula C19H15NO8 and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid
Also Known As: Alizarin complexone, Alizarin Fluorine Blue, Alizarinkomplexon, Alizarin complexon, Alizarine complexon
| Molecular Formula | C19H15NO8 |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.07977 |
| Heavy Atoms | 28 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 3952-78-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O |
| InChIKey | PWIGYBONXWGOQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alizarin complexone (CAS 3952-78-1), with molecular formula C19H15NO8 and molecular weight 385.08 g/mol. IUPAC: 2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid.
Chemical Property Profile of Alizarin complexone
Property Insights of Alizarin complexone
The XLogP value of -0.5 indicates that Alizarin complexone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting Alizarin complexone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alizarin complexone has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alizarin complexone?
The CAS number of Alizarin complexone is 3952-78-1.
What is the molecular formula of Alizarin complexone?
The molecular formula of Alizarin complexone is C19H15NO8.
What is the molecular weight of Alizarin complexone?
The molecular weight of Alizarin complexone is 385.08 g/mol.
Where can I buy Alizarin complexone?
You can request a quote for Alizarin complexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alizarin complexone?
Yes, KEHONG BIO provides custom synthesis services for Alizarin complexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.