5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid
TL;DR: 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid (CAS 342045-38-9) is a chemical compound with molecular formula C11H11BrN2O6 and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-tert-butyl-2,3-dinitrobenzoic acid
Also Known As: 5-bromo-4-tert-butyl-2,3-dinitrobenzoic acid, 5-bromo-4-tert-butyl-2,3-bisnitrobenzoic acid, AE-562/12222808
| Molecular Formula | C11H11BrN2O6 |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 3.2612 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.98004 |
| Heavy Atoms | 20 |
| Complexity | 620.3199 |
Chemical Identifiers
| CAS Number | 342045-38-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O)Br |
Product Overview
5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid (CAS 342045-38-9), with molecular formula C11H11BrN2O6 and molecular weight 345.98 g/mol. IUPAC: 5-bromo-4-tert-butyl-2,3-dinitrobenzoic acid.
Chemical Property Profile of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid
Property Insights of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid
The XLogP value of 3.2612 indicates that 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid. Following Lipinski's Rule of Five, 5-Bromo-4-tert-butyl-2,3-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 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid?
The CAS number of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid is 342045-38-9.
What is the molecular formula of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid?
The molecular formula of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid is C11H11BrN2O6.
What is the molecular weight of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid?
The molecular weight of 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid is 345.98 g/mol.
Where can I buy 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid?
You can request a quote for 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-tert-butyl-2,3-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.