1-(4-Methoxyphenoxy)-2-nitrobenzene
TL;DR: 1-(4-Methoxyphenoxy)-2-nitrobenzene (CAS 58656-16-9) 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.
1-(4-methoxyphenoxy)-2-nitrobenzene
Also Known As: 1-(4-methoxyphenoxy)-2-nitrobenzene, 4-Methoxyphenyl 2-nitrophenyl ether, 1-(2-Nitrophenoxy)-4-methoxybenzene, 1-METHOXY-4-(2-NITROPHENOXY)BENZENE, 2-(4-Methoxyphenoxy)-1-nitrobenzene
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 58656-16-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | FGSKHRBOXIIWTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxyphenoxy)-2-nitrobenzene (CAS 58656-16-9), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: 1-(4-methoxyphenoxy)-2-nitrobenzene.
Chemical Property Profile of 1-(4-Methoxyphenoxy)-2-nitrobenzene
Property Insights of 1-(4-Methoxyphenoxy)-2-nitrobenzene
The XLogP value of 3.3 indicates that 1-(4-Methoxyphenoxy)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenoxy)-2-nitrobenzene. Following Lipinski's Rule of Five, 1-(4-Methoxyphenoxy)-2-nitrobenzene 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 1-(4-Methoxyphenoxy)-2-nitrobenzene?
The CAS number of 1-(4-Methoxyphenoxy)-2-nitrobenzene is 58656-16-9.
What is the molecular formula of 1-(4-Methoxyphenoxy)-2-nitrobenzene?
The molecular formula of 1-(4-Methoxyphenoxy)-2-nitrobenzene is C13H11NO4.
What is the molecular weight of 1-(4-Methoxyphenoxy)-2-nitrobenzene?
The molecular weight of 1-(4-Methoxyphenoxy)-2-nitrobenzene is 245.07 g/mol.
Where can I buy 1-(4-Methoxyphenoxy)-2-nitrobenzene?
You can request a quote for 1-(4-Methoxyphenoxy)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenoxy)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenoxy)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.