Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
TL;DR: Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate (CAS 548-24-3) is a chemical compound with molecular formula C20H6Br2N2Na2O9 and molecular weight 621.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxoxanthen-9-yl)benzoate
Also Known As: Eosin B, Saffrosine, Eosin bluish, Eosin Scarlet, Acid Red 91
| Molecular Formula | C20H6Br2N2Na2O9 |
|---|---|
| Molecular Weight | 621.82 g/mol |
| LogP | -2.65 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 623.8215 |
| Heavy Atoms | 35 |
| Complexity | 962.0 |
Chemical Identifiers
| CAS Number | 548-24-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)[N+](=O)[O-])[O-])Br)Br)[N+](=O)[O-])C(=O)[O-].[Na+].[Na+] |
| InChIKey | GYYTYUGGVBYJHE-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate (CAS 548-24-3), with molecular formula C20H6Br2N2Na2O9 and molecular weight 621.82 g/mol. IUPAC: disodium;2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxoxanthen-9-yl)benzoate.
Chemical Property Profile of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Property Insights of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
The XLogP value of -2.65 indicates that Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate?
The CAS number of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate is 548-24-3.
What is the molecular formula of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate?
The molecular formula of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate is C20H6Br2N2Na2O9.
What is the molecular weight of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate?
The molecular weight of Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate is 621.82 g/mol.
Where can I buy Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate?
You can request a quote for Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.