3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester
TL;DR: 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester (CAS 677326-76-0) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-oxopropanoate
Also Known As: Not Available, 3-(5-methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester, ethyl 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-oxopropanoate, Ethyl 3-(5-methyl-3-phenylisoxazol-4-yl)-3-oxopropanoate, 3-(5-Methyl-3-phenyl-isoxazol-4-yl)-3-oxo-propionic acid ethyl ester
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.78592 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 616.05865 |
Chemical Identifiers
| CAS Number | 677326-76-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(ON=C1C2=CC=CC=C2)C |
Product Overview
3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester (CAS 677326-76-0), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: ethyl 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-oxopropanoate.
Chemical Property Profile of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester
Property Insights of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester
The XLogP value of 2.78592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester. Following Lipinski's Rule of Five, 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester 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 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester?
The CAS number of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester is 677326-76-0.
What is the molecular formula of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester?
The molecular formula of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester is C15H15NO4.
What is the molecular weight of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester?
The molecular weight of 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester is 273.10 g/mol.
Where can I buy 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester?
You can request a quote for 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.