4-Benzyloxy-2-nitroaniline
TL;DR: 4-Benzyloxy-2-nitroaniline (CAS 26864-94-8) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-phenylmethoxyaniline
Also Known As: 4-(benzyloxy)-2-nitroaniline, 4-BENZYLOXY-2-NITROANILINE, 2-nitro-4-phenylmethoxyaniline, 2-Nitro-4-(benzyloxy)aniline, 4-benzyloxy-2-nitro-aniline
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 26864-94-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2)N)[N+](=O)[O-] |
| InChIKey | JGVXQZRIRQLMHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyloxy-2-nitroaniline (CAS 26864-94-8), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2-nitro-4-phenylmethoxyaniline.
Chemical Property Profile of 4-Benzyloxy-2-nitroaniline
Property Insights of 4-Benzyloxy-2-nitroaniline
The XLogP value of 3.4 indicates that 4-Benzyloxy-2-nitroaniline 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-Benzyloxy-2-nitroaniline. Following Lipinski's Rule of Five, 4-Benzyloxy-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-Benzyloxy-2-nitroaniline?
The CAS number of 4-Benzyloxy-2-nitroaniline is 26864-94-8.
What is the molecular formula of 4-Benzyloxy-2-nitroaniline?
The molecular formula of 4-Benzyloxy-2-nitroaniline is C13H12N2O3.
What is the molecular weight of 4-Benzyloxy-2-nitroaniline?
The molecular weight of 4-Benzyloxy-2-nitroaniline is 244.08 g/mol.
Where can I buy 4-Benzyloxy-2-nitroaniline?
You can request a quote for 4-Benzyloxy-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-Benzyloxy-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.