3-Bromo-4-methoxy-6-nitroaniline
TL;DR: 3-Bromo-4-methoxy-6-nitroaniline (CAS 6943-69-7) is a chemical compound with molecular formula C7H7BrN2O3 and molecular weight 245.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-methoxy-2-nitroaniline
Also Known As: 5-bromo-4-methoxy-2-nitroaniline, 5-Bromo-4-methoxy-2-nitro-aniline, 3-bromo-4-methoxy-6-nitroaniline, Benzenamine, 5-bromo-4-methoxy-2-nitro-, Benzenamine,5-bromo-4-methoxy-2-nitro-
| Molecular Formula | C7H7BrN2O3 |
|---|---|
| Molecular Weight | 245.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.964 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 6943-69-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)[N+](=O)[O-])N)Br |
| InChIKey | HQUCUBOXGLEYNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-methoxy-6-nitroaniline (CAS 6943-69-7), with molecular formula C7H7BrN2O3 and molecular weight 245.96 g/mol. IUPAC: 5-bromo-4-methoxy-2-nitroaniline.
Chemical Property Profile of 3-Bromo-4-methoxy-6-nitroaniline
Property Insights of 3-Bromo-4-methoxy-6-nitroaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-methoxy-6-nitroaniline. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4-methoxy-6-nitroaniline. Following Lipinski's Rule of Five, 3-Bromo-4-methoxy-6-nitroaniline has 1 hydrogen bond donor(s) and 4 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 3-Bromo-4-methoxy-6-nitroaniline?
The CAS number of 3-Bromo-4-methoxy-6-nitroaniline is 6943-69-7.
What is the molecular formula of 3-Bromo-4-methoxy-6-nitroaniline?
The molecular formula of 3-Bromo-4-methoxy-6-nitroaniline is C7H7BrN2O3.
What is the molecular weight of 3-Bromo-4-methoxy-6-nitroaniline?
The molecular weight of 3-Bromo-4-methoxy-6-nitroaniline is 245.96 g/mol.
Where can I buy 3-Bromo-4-methoxy-6-nitroaniline?
You can request a quote for 3-Bromo-4-methoxy-6-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-methoxy-6-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-methoxy-6-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.