Gallein
TL;DR: Gallein (CAS 2103-64-2) is a chemical compound with molecular formula C20H12O7 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Gallein, Alizarin violet, Pyrogallolphthalein, Mordant violet 25, Alizarine violet
| Molecular Formula | C20H12O7 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 364.0583 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 2103-64-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O |
| InChIKey | PHLYOKFVXIVOJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gallein (CAS 2103-64-2), with molecular formula C20H12O7 and molecular weight 364.06 g/mol. IUPAC: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of Gallein
Property Insights of Gallein
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gallein. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gallein. Following Lipinski's Rule of Five, Gallein has 4 hydrogen bond donor(s) and 7 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 Gallein?
The CAS number of Gallein is 2103-64-2.
What is the molecular formula of Gallein?
The molecular formula of Gallein is C20H12O7.
What is the molecular weight of Gallein?
The molecular weight of Gallein is 364.06 g/mol.
Where can I buy Gallein?
You can request a quote for Gallein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gallein?
Yes, KEHONG BIO provides custom synthesis services for Gallein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.