4-Bromo-3-nitroanisole
TL;DR: 4-Bromo-3-nitroanisole (CAS 5344-78-5) is a chemical compound with molecular formula C7H6BrNO3 and molecular weight 230.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-methoxy-2-nitrobenzene
Also Known As: 4-Bromo-3-nitroanisole, 1-Bromo-4-methoxy-2-nitrobenzene, null, 4-Bromo-3-nitroanisol, Benzene, 1-bromo-4-methoxy-2-nitro-
| Molecular Formula | C7H6BrNO3 |
|---|---|
| Molecular Weight | 230.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.95311 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 5344-78-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)Br)[N+](=O)[O-] |
| InChIKey | KCOBIBRGPCFIGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-nitroanisole (CAS 5344-78-5), with molecular formula C7H6BrNO3 and molecular weight 230.95 g/mol. IUPAC: 1-bromo-4-methoxy-2-nitrobenzene.
Chemical Property Profile of 4-Bromo-3-nitroanisole
Property Insights of 4-Bromo-3-nitroanisole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Bromo-3-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-nitroanisole has 0 hydrogen bond donor(s) and 3 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-nitroanisole?
The CAS number of 4-Bromo-3-nitroanisole is 5344-78-5.
What is the molecular formula of 4-Bromo-3-nitroanisole?
The molecular formula of 4-Bromo-3-nitroanisole is C7H6BrNO3.
What is the molecular weight of 4-Bromo-3-nitroanisole?
The molecular weight of 4-Bromo-3-nitroanisole is 230.95 g/mol.
Where can I buy 4-Bromo-3-nitroanisole?
You can request a quote for 4-Bromo-3-nitroanisole 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-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.