4-Nitro-2-phenoxyaniline
TL;DR: 4-Nitro-2-phenoxyaniline (CAS 6279-89-6) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-phenoxyaniline
Also Known As: 4-nitro-2-phenoxyaniline, Nimesulide Impurity D, 2-phenoxy-4-nitroaniline, Nimesulide EP Impurity D, 4-nitro-2-phenoxy-aniline
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 6279-89-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])N |
| InChIKey | CGQKBVHAWXBMCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-2-phenoxyaniline (CAS 6279-89-6), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 4-nitro-2-phenoxyaniline.
Chemical Property Profile of 4-Nitro-2-phenoxyaniline
Property Insights of 4-Nitro-2-phenoxyaniline
The XLogP value of 3.0 indicates that 4-Nitro-2-phenoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-phenoxyaniline. Following Lipinski's Rule of Five, 4-Nitro-2-phenoxyaniline 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-Nitro-2-phenoxyaniline?
The CAS number of 4-Nitro-2-phenoxyaniline is 6279-89-6.
What is the molecular formula of 4-Nitro-2-phenoxyaniline?
The molecular formula of 4-Nitro-2-phenoxyaniline is C12H10N2O3.
What is the molecular weight of 4-Nitro-2-phenoxyaniline?
The molecular weight of 4-Nitro-2-phenoxyaniline is 230.07 g/mol.
Where can I buy 4-Nitro-2-phenoxyaniline?
You can request a quote for 4-Nitro-2-phenoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-phenoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-phenoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.