Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate
TL;DR: Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate (CAS 338397-38-9) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylbenzoyl)-1,2-oxazole-3-carboxylate
Also Known As: ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate, ethyl 4-(4-methylbenzoyl)-1,2-oxazole-3-carboxylate, 2G-944
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.39072 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 598.16345 |
Chemical Identifiers
| CAS Number | 338397-38-9 |
|---|---|
| SMILES | CCOC(=O)C1=NOC=C1C(=O)C2=CC=C(C=C2)C |
Product Overview
Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate (CAS 338397-38-9), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: ethyl 4-(4-methylbenzoyl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate
Property Insights of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate
The XLogP value of 2.39072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate 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 4-(4-methylbenzoyl)-3-isoxazolecarboxylate?
The CAS number of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate is 338397-38-9.
What is the molecular formula of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate?
The molecular formula of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate is C14H13NO4.
What is the molecular weight of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate?
The molecular weight of Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate is 259.08 g/mol.
Where can I buy Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate?
You can request a quote for Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methylbenzoyl)-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.