Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate (CAS 54535-14-7) is a chemical compound with molecular formula C6H7NO4 and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-oxo-2H-1,2-oxazole-4-carboxylate
Also Known As: Ethyl 5-Hydroxy-4-isoxazolecarboxylate, Ethyl 5-Hydroxyisoxazole-4-carboxylate, ethyl 5-hydroxy-1,2-oxazole-4-carboxylate, Ethyl 5-oxo-2,5-dihydroisoxazole-4-carboxylate, 5-Hydroxy-4-isoxazolecarboxylic acidethylester
| Molecular Formula | C6H7NO4 |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.0375 |
| Heavy Atoms | 11 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 54535-14-7 |
|---|---|
| SMILES | CCOC(=O)C1=CNOC1=O |
| InChIKey | VRYNOAFUGQRIQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate (CAS 54535-14-7), with molecular formula C6H7NO4 and molecular weight 157.04 g/mol. IUPAC: ethyl 5-oxo-2H-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate 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 5-hydroxy-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate is 54535-14-7.
What is the molecular formula of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate is C6H7NO4.
What is the molecular weight of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate is 157.04 g/mol.
Where can I buy Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 5-hydroxy-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 5-hydroxy-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-hydroxy-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.