4,5-Dibromo-2-(4-nitrophenoxy)anisole
TL;DR: 4,5-Dibromo-2-(4-nitrophenoxy)anisole (CAS 84604-86-4) is a chemical compound with molecular formula C13H9Br2NO4 and molecular weight 400.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibromo-4-methoxy-5-(4-nitrophenoxy)benzene
Also Known As: EINECS 283-370-8, 4,5-Dibromo-2-(4-nitrophenoxy)anisole, 1,2-dibromo-4-methoxy-5-(4-nitrophenoxy)benzene, Benzene,1,2-dibromo-4-methoxy-5-(4-nitrophenoxy)-
| Molecular Formula | C13H9Br2NO4 |
|---|---|
| Molecular Weight | 400.89 g/mol |
| LogP | 4.9207 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.88983 |
| Heavy Atoms | 20 |
| Complexity | 643.5646 |
Chemical Identifiers
| CAS Number | 84604-86-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1OC2=CC=C(C=C2)[N+](=O)[O-])Br)Br |
Product Overview
4,5-Dibromo-2-(4-nitrophenoxy)anisole (CAS 84604-86-4), with molecular formula C13H9Br2NO4 and molecular weight 400.89 g/mol. IUPAC: 1,2-dibromo-4-methoxy-5-(4-nitrophenoxy)benzene.
Chemical Property Profile of 4,5-Dibromo-2-(4-nitrophenoxy)anisole
Property Insights of 4,5-Dibromo-2-(4-nitrophenoxy)anisole
The XLogP value of 4.9207 indicates that 4,5-Dibromo-2-(4-nitrophenoxy)anisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dibromo-2-(4-nitrophenoxy)anisole. Following Lipinski's Rule of Five, 4,5-Dibromo-2-(4-nitrophenoxy)anisole has 0 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 4,5-Dibromo-2-(4-nitrophenoxy)anisole?
The CAS number of 4,5-Dibromo-2-(4-nitrophenoxy)anisole is 84604-86-4.
What is the molecular formula of 4,5-Dibromo-2-(4-nitrophenoxy)anisole?
The molecular formula of 4,5-Dibromo-2-(4-nitrophenoxy)anisole is C13H9Br2NO4.
What is the molecular weight of 4,5-Dibromo-2-(4-nitrophenoxy)anisole?
The molecular weight of 4,5-Dibromo-2-(4-nitrophenoxy)anisole is 400.89 g/mol.
Where can I buy 4,5-Dibromo-2-(4-nitrophenoxy)anisole?
You can request a quote for 4,5-Dibromo-2-(4-nitrophenoxy)anisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dibromo-2-(4-nitrophenoxy)anisole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dibromo-2-(4-nitrophenoxy)anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.