2-Bromo-3,5-dinitroaniline
TL;DR: 2-Bromo-3,5-dinitroaniline (CAS 116529-41-0) 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.
2-bromo-3,5-dinitroaniline
Also Known As: 2-Bromo-3,5-dinitroaniline, 2-bromo-3,5-dinitro-aniline, 2-Brom-3,5-dinitro-anilin, 2-Bromo-3,5-dinitrobenzenamine, 2-Bromo-3,5-dinitroaniline #
| Molecular Formula | C6H4BrN3O4 |
|---|---|
| Molecular Weight | 260.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.9385 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 116529-41-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)Br)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JGZQMSNJOVFRQE-UHFFFAOYSA-N |
Product Overview
2-Bromo-3,5-dinitroaniline (CAS 116529-41-0), with molecular formula C6H4BrN3O4 and molecular weight 260.94 g/mol. IUPAC: 2-bromo-3,5-dinitroaniline.
Chemical Property Profile of 2-Bromo-3,5-dinitroaniline
Property Insights of 2-Bromo-3,5-dinitroaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3,5-dinitroaniline. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3,5-dinitroaniline. Following Lipinski's Rule of Five, 2-Bromo-3,5-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 2-Bromo-3,5-dinitroaniline?
The CAS number of 2-Bromo-3,5-dinitroaniline is 116529-41-0.
What is the molecular formula of 2-Bromo-3,5-dinitroaniline?
The molecular formula of 2-Bromo-3,5-dinitroaniline is C6H4BrN3O4.
What is the molecular weight of 2-Bromo-3,5-dinitroaniline?
The molecular weight of 2-Bromo-3,5-dinitroaniline is 260.94 g/mol.
Where can I buy 2-Bromo-3,5-dinitroaniline?
You can request a quote for 2-Bromo-3,5-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,5-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,5-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.