4-Bromo-3,5-dinitrobenzoic acid
TL;DR: 4-Bromo-3,5-dinitrobenzoic acid (CAS 577-52-6) is a chemical compound with molecular formula C7H3BrN2O6 and molecular weight 289.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3,5-dinitrobenzoic acid
Also Known As: 4-bromo-3,5-dinitrobenzoic acid, 4-Brom-3.5-dinitrobenzoesaure, 4-bromo-3,5-dinitro-benzoic Acid, 4-Brom-3,5-dinitro-benzoesaeure, 3-chloro-1H-indole-5-carboxylic acid
| Molecular Formula | C7H3BrN2O6 |
|---|---|
| Molecular Weight | 289.92 g/mol |
| LogP | 1.9637 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.91745 |
| Heavy Atoms | 16 |
| Complexity | 464.64557 |
Chemical Identifiers
| CAS Number | 577-52-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])C(=O)O |
Product Overview
4-Bromo-3,5-dinitrobenzoic acid (CAS 577-52-6), with molecular formula C7H3BrN2O6 and molecular weight 289.92 g/mol. IUPAC: 4-bromo-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-Bromo-3,5-dinitrobenzoic acid
Property Insights of 4-Bromo-3,5-dinitrobenzoic acid
The XLogP value of 1.9637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3,5-dinitrobenzoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-Bromo-3,5-dinitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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 4-Bromo-3,5-dinitrobenzoic acid?
The CAS number of 4-Bromo-3,5-dinitrobenzoic acid is 577-52-6.
What is the molecular formula of 4-Bromo-3,5-dinitrobenzoic acid?
The molecular formula of 4-Bromo-3,5-dinitrobenzoic acid is C7H3BrN2O6.
What is the molecular weight of 4-Bromo-3,5-dinitrobenzoic acid?
The molecular weight of 4-Bromo-3,5-dinitrobenzoic acid is 289.92 g/mol.
Where can I buy 4-Bromo-3,5-dinitrobenzoic acid?
You can request a quote for 4-Bromo-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.