4-Bromo-2,6-dinitroaniline
TL;DR: 4-Bromo-2,6-dinitroaniline (CAS 62554-90-9) is a chemical compound with molecular formula C6H4BrN3O4 and molecular weight 260.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,6-dinitroaniline
Also Known As: 4-bromo-2,6-dinitroaniline, 4-bromo-2,6-dinitro-aniline, Benzenamine, 4-bromo-2,6-dinitro-, 4-bromo-2,6-dinitrobenzenamine, 4-Bromo-3,5-dinitroaniline
| Molecular Formula | C6H4BrN3O4 |
|---|---|
| Molecular Weight | 260.94 g/mol |
| LogP | 1.8477 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.9385 |
| Heavy Atoms | 14 |
| Complexity | 384.5328 |
Chemical Identifiers
| CAS Number | 62554-90-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Br |
Product Overview
4-Bromo-2,6-dinitroaniline (CAS 62554-90-9), with molecular formula C6H4BrN3O4 and molecular weight 260.94 g/mol. IUPAC: 4-bromo-2,6-dinitroaniline.
Chemical Property Profile of 4-Bromo-2,6-dinitroaniline
Property Insights of 4-Bromo-2,6-dinitroaniline
The XLogP value of 1.8477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2,6-dinitroaniline. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2,6-dinitroaniline. Following Lipinski's Rule of Five, 4-Bromo-2,6-dinitroaniline 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-2,6-dinitroaniline?
The CAS number of 4-Bromo-2,6-dinitroaniline is 62554-90-9.
What is the molecular formula of 4-Bromo-2,6-dinitroaniline?
The molecular formula of 4-Bromo-2,6-dinitroaniline is C6H4BrN3O4.
What is the molecular weight of 4-Bromo-2,6-dinitroaniline?
The molecular weight of 4-Bromo-2,6-dinitroaniline is 260.94 g/mol.
Where can I buy 4-Bromo-2,6-dinitroaniline?
You can request a quote for 4-Bromo-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.