1-Ethoxy-3-fluoro-5-nitrobenzene
TL;DR: 1-Ethoxy-3-fluoro-5-nitrobenzene (CAS 330-66-5) is a chemical compound with molecular formula C8H8FNO3 and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-3-fluoro-5-nitrobenzene
Also Known As: 1-ethoxy-3-fluoro-5-nitrobenzene, 3-fluoro-5-nitro-phenetole
| Molecular Formula | C8H8FNO3 |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04883 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 330-66-5 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1)[N+](=O)[O-])F |
| InChIKey | MTEHSJMNPXESQN-UHFFFAOYSA-N |
Product Overview
1-Ethoxy-3-fluoro-5-nitrobenzene (CAS 330-66-5), with molecular formula C8H8FNO3 and molecular weight 185.05 g/mol. IUPAC: 1-ethoxy-3-fluoro-5-nitrobenzene.
Chemical Property Profile of 1-Ethoxy-3-fluoro-5-nitrobenzene
Property Insights of 1-Ethoxy-3-fluoro-5-nitrobenzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-3-fluoro-5-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Ethoxy-3-fluoro-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-3-fluoro-5-nitrobenzene has 0 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-Ethoxy-3-fluoro-5-nitrobenzene?
The CAS number of 1-Ethoxy-3-fluoro-5-nitrobenzene is 330-66-5.
What is the molecular formula of 1-Ethoxy-3-fluoro-5-nitrobenzene?
The molecular formula of 1-Ethoxy-3-fluoro-5-nitrobenzene is C8H8FNO3.
What is the molecular weight of 1-Ethoxy-3-fluoro-5-nitrobenzene?
The molecular weight of 1-Ethoxy-3-fluoro-5-nitrobenzene is 185.05 g/mol.
Where can I buy 1-Ethoxy-3-fluoro-5-nitrobenzene?
You can request a quote for 1-Ethoxy-3-fluoro-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-3-fluoro-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-3-fluoro-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.