![Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate structure](/static/products/5444/544457-76-3.webp)
Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate
TL;DR: Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate (CAS 544457-76-3) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
Also Known As: ethyl 2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate, ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate, Ethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)benzoate, ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate, ethyl2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 4.07902 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 931.9941 |
Chemical Identifiers
| CAS Number | 544457-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(ON=C2C3=CC=CC=C3)C |
Product Overview
Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate (CAS 544457-76-3), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate
Property Insights of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate
The XLogP value of 4.07902 indicates that Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate has 1 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-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate?
The CAS number of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate is 544457-76-3.
What is the molecular formula of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate?
The molecular formula of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate is C20H18N2O4.
What is the molecular weight of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate?
The molecular weight of Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate is 350.13 g/mol.
Where can I buy Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate?
You can request a quote for Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.