Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate (CAS 80490-40-0) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate
Also Known As: ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate, Ethyl 4-hydroxy-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 80490-40-0 |
|---|---|
| SMILES | CCOC(=O)C1(C(=NOC1=O)C2=CC=CC=C2)O |
| InChIKey | NHKWCAZRTVAUPV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate (CAS 80490-40-0), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate has 1 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 Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate is 80490-40-0.
What is the molecular formula of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate is C12H11NO5.
What is the molecular weight of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate is 249.06 g/mol.
Where can I buy Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-5-oxo-3-phenyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.