4-Methoxy-2-nitro-1-phenoxybenzene
TL;DR: 4-Methoxy-2-nitro-1-phenoxybenzene (CAS 82780-78-7) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-nitro-1-phenoxybenzene
Also Known As: Iguratimod Impurity 5, 4-methoxy-2-nitro-1-phenoxybenzene, Iguratimod Impurity 4, Iguratimod Impurity 52, 3-Nitro-4-phenoxyanisole
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 3.3957 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 554.1726 |
Chemical Identifiers
| CAS Number | 82780-78-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
4-Methoxy-2-nitro-1-phenoxybenzene (CAS 82780-78-7), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: 4-methoxy-2-nitro-1-phenoxybenzene.
Chemical Property Profile of 4-Methoxy-2-nitro-1-phenoxybenzene
Property Insights of 4-Methoxy-2-nitro-1-phenoxybenzene
The XLogP value of 3.3957 indicates that 4-Methoxy-2-nitro-1-phenoxybenzene 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-Methoxy-2-nitro-1-phenoxybenzene. Following Lipinski's Rule of Five, 4-Methoxy-2-nitro-1-phenoxybenzene 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-Methoxy-2-nitro-1-phenoxybenzene?
The CAS number of 4-Methoxy-2-nitro-1-phenoxybenzene is 82780-78-7.
What is the molecular formula of 4-Methoxy-2-nitro-1-phenoxybenzene?
The molecular formula of 4-Methoxy-2-nitro-1-phenoxybenzene is C13H11NO4.
What is the molecular weight of 4-Methoxy-2-nitro-1-phenoxybenzene?
The molecular weight of 4-Methoxy-2-nitro-1-phenoxybenzene is 245.07 g/mol.
Where can I buy 4-Methoxy-2-nitro-1-phenoxybenzene?
You can request a quote for 4-Methoxy-2-nitro-1-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2-nitro-1-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2-nitro-1-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.