2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid
TL;DR: 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid (CAS 56360-46-4) is a chemical compound with molecular formula C20H8Br2N2O9 and molecular weight 577.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid
Also Known As: Eosin B, EOSINB, Acid Red 91, Eosin B spirit soluble, C.I. Acid Red 91
| Molecular Formula | C20H8Br2N2O9 |
|---|---|
| Molecular Weight | 577.86 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 579.8576 |
| Heavy Atoms | 33 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 56360-46-4 |
|---|---|
| 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 |
| InChIKey | YDIYPOHFEIEJPE-UHFFFAOYSA-N |
Product Overview
2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid (CAS 56360-46-4), with molecular formula C20H8Br2N2O9 and molecular weight 577.86 g/mol. IUPAC: 2-(4,5-dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid.
Chemical Property Profile of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid
Property Insights of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid
The XLogP value of 4.5 indicates that 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid has 2 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 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid?
The CAS number of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid is 56360-46-4.
What is the molecular formula of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid?
The molecular formula of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid is C20H8Br2N2O9.
What is the molecular weight of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid?
The molecular weight of 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid is 577.86 g/mol.
Where can I buy 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid?
You can request a quote for 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dibromo-3-hydroxy-2,7-dinitro-6-oxoxanthen-9-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.