![2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile structure](/static/products/4454/445416-62-6.webp)
2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile
TL;DR: 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile (CAS 445416-62-6) is a chemical compound with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-ethoxy-4-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetonitrile
Also Known As: 2-[2-ethoxy-4-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetonitrile, 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile, {2-Ethoxy-4-[(5-oxo-3-phenyl-1,2-oxazol-4(5H)-ylidene)methyl]phenoxy}acetonitrile
| Molecular Formula | C20H16N2O4 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 3.33218 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.111 |
| Heavy Atoms | 26 |
| Complexity | 911.15356 |
Chemical Identifiers
| CAS Number | 445416-62-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=NOC2=O)C3=CC=CC=C3)OCC#N |
Product Overview
2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile (CAS 445416-62-6), with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol. IUPAC: 2-[2-ethoxy-4-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenoxy]acetonitrile.
Chemical Property Profile of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile
Property Insights of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile
The XLogP value of 3.33218 indicates that 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile. Following Lipinski's Rule of Five, 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile has 0 hydrogen bond donor(s) and 6 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-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile?
The CAS number of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile is 445416-62-6.
What is the molecular formula of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile?
The molecular formula of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile is C20H16N2O4.
What is the molecular weight of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile?
The molecular weight of 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile is 348.11 g/mol.
Where can I buy 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile?
You can request a quote for 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Ethoxy-4-[(5-oxo-3-phenyl-4(5H)-isoxazolylidene)methyl]phenoxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.