4-Methoxy-2-nitroaniline
TL;DR: 4-Methoxy-2-nitroaniline (CAS 96-96-8) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-nitroaniline
Also Known As: 4-Methoxy-2-nitroaniline, 2-Nitro-4-methoxyaniline, 2-Nitro-p-anisidine, Fast Bordeaux GP, 4-Amino-3-nitroanisole
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| Vapor Pressure | 0.000319 [mmHg] |
Chemical Identifiers
| CAS Number | 96-96-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N)[N+](=O)[O-] |
| InChIKey | QFMJFXFXQAFGBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-2-nitroaniline (CAS 96-96-8), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 4-methoxy-2-nitroaniline.
Chemical Property Profile of 4-Methoxy-2-nitroaniline
Property Insights of 4-Methoxy-2-nitroaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2-nitroaniline. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-2-nitroaniline. Following Lipinski's Rule of Five, 4-Methoxy-2-nitroaniline has 1 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-nitroaniline?
The CAS number of 4-Methoxy-2-nitroaniline is 96-96-8.
What is the molecular formula of 4-Methoxy-2-nitroaniline?
The molecular formula of 4-Methoxy-2-nitroaniline is C7H8N2O3.
What is the molecular weight of 4-Methoxy-2-nitroaniline?
The molecular weight of 4-Methoxy-2-nitroaniline is 168.05 g/mol.
Where can I buy 4-Methoxy-2-nitroaniline?
You can request a quote for 4-Methoxy-2-nitroaniline 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-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.