1-(2-Aminophenyl)-2-nitroethanone
TL;DR: 1-(2-Aminophenyl)-2-nitroethanone (CAS 63892-06-8) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminophenyl)-2-nitroethanone
Also Known As: 1-(2-AMINOPHENYL)-2-NITROETHANONE, 1-(2-aminophenyl)-2-nitroethan-1-one, J1.623.003K, RefChem:223164
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 63892-06-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C[N+](=O)[O-])N |
| InChIKey | BCAHFOPUWFFFOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Aminophenyl)-2-nitroethanone (CAS 63892-06-8), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 1-(2-aminophenyl)-2-nitroethanone.
Chemical Property Profile of 1-(2-Aminophenyl)-2-nitroethanone
Property Insights of 1-(2-Aminophenyl)-2-nitroethanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Aminophenyl)-2-nitroethanone. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Aminophenyl)-2-nitroethanone. Following Lipinski's Rule of Five, 1-(2-Aminophenyl)-2-nitroethanone 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 1-(2-Aminophenyl)-2-nitroethanone?
The CAS number of 1-(2-Aminophenyl)-2-nitroethanone is 63892-06-8.
What is the molecular formula of 1-(2-Aminophenyl)-2-nitroethanone?
The molecular formula of 1-(2-Aminophenyl)-2-nitroethanone is C8H8N2O3.
What is the molecular weight of 1-(2-Aminophenyl)-2-nitroethanone?
The molecular weight of 1-(2-Aminophenyl)-2-nitroethanone is 180.05 g/mol.
Where can I buy 1-(2-Aminophenyl)-2-nitroethanone?
You can request a quote for 1-(2-Aminophenyl)-2-nitroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Aminophenyl)-2-nitroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Aminophenyl)-2-nitroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.