Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate
TL;DR: Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate (CAS 352666-93-4) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate
Also Known As: ethyl [2-(5-isoxazolyl)-4-methylphenoxy]acetate, Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate, ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate, ethyl 2-(2-isoxazol-5-yl-4-methyl-phenoxy)acetate, Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate, AldrichCPR
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.59192 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 548.57855 |
Chemical Identifiers
| CAS Number | 352666-93-4 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)C)C2=CC=NO2 |
Product Overview
Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate (CAS 352666-93-4), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate.
Chemical Property Profile of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate
Property Insights of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate
The XLogP value of 2.59192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 5 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 Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate?
The CAS number of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate is 352666-93-4.
What is the molecular formula of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate?
The molecular formula of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate is C14H15NO4.
What is the molecular weight of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate?
The molecular weight of Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate is 261.10 g/mol.
Where can I buy Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate?
You can request a quote for Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(isoxazol-5-yl)-4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.