2-Nitrophenetole
TL;DR: 2-Nitrophenetole (CAS 610-67-3) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-2-nitrobenzene
Also Known As: 2-Nitrophenetole, 1-Ethoxy-2-nitrobenzene, o-Nitrophenetole, 2-Ethoxynitrobenzene, Benzene, 1-ethoxy-2-nitro-
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 610-67-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | XGLGESCVNJSAQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenetole (CAS 610-67-3), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 1-ethoxy-2-nitrobenzene.
Chemical Property Profile of 2-Nitrophenetole
Property Insights of 2-Nitrophenetole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenetole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Nitrophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrophenetole has 0 hydrogen bond donor(s) and 3 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 2-Nitrophenetole?
The CAS number of 2-Nitrophenetole is 610-67-3.
What is the molecular formula of 2-Nitrophenetole?
The molecular formula of 2-Nitrophenetole is C8H9NO3.
What is the molecular weight of 2-Nitrophenetole?
The molecular weight of 2-Nitrophenetole is 167.06 g/mol.
Where can I buy 2-Nitrophenetole?
You can request a quote for 2-Nitrophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenetole?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.