3-(4-Fluorophenoxy)-5-nitrobenzenamine
TL;DR: 3-(4-Fluorophenoxy)-5-nitrobenzenamine (CAS 208122-60-5) is a chemical compound with molecular formula C12H9FN2O3 and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenoxy)-5-nitroaniline
Also Known As: 3-(4-fluorophenoxy)-5-nitroaniline, 3-(4-Fluoro-phenoxy)-5-nitro-phenylamine, ZERO/001315, 3-(4-fluorophenoxy)-5-nitro-aniline, 3-(4-Fluorophenoxy)-5-nitrobenzenamine
| Molecular Formula | C12H9FN2O3 |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.05972 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 208122-60-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])N)F |
| InChIKey | QOIWYTAGLVJORJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorophenoxy)-5-nitrobenzenamine (CAS 208122-60-5), with molecular formula C12H9FN2O3 and molecular weight 248.06 g/mol. IUPAC: 3-(4-fluorophenoxy)-5-nitroaniline.
Chemical Property Profile of 3-(4-Fluorophenoxy)-5-nitrobenzenamine
Property Insights of 3-(4-Fluorophenoxy)-5-nitrobenzenamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenoxy)-5-nitrobenzenamine. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Fluorophenoxy)-5-nitrobenzenamine. Following Lipinski's Rule of Five, 3-(4-Fluorophenoxy)-5-nitrobenzenamine has 1 hydrogen bond donor(s) and 5 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-(4-Fluorophenoxy)-5-nitrobenzenamine?
The CAS number of 3-(4-Fluorophenoxy)-5-nitrobenzenamine is 208122-60-5.
What is the molecular formula of 3-(4-Fluorophenoxy)-5-nitrobenzenamine?
The molecular formula of 3-(4-Fluorophenoxy)-5-nitrobenzenamine is C12H9FN2O3.
What is the molecular weight of 3-(4-Fluorophenoxy)-5-nitrobenzenamine?
The molecular weight of 3-(4-Fluorophenoxy)-5-nitrobenzenamine is 248.06 g/mol.
Where can I buy 3-(4-Fluorophenoxy)-5-nitrobenzenamine?
You can request a quote for 3-(4-Fluorophenoxy)-5-nitrobenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenoxy)-5-nitrobenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenoxy)-5-nitrobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.