Ethyl 3-phenylisoxazole-5-carboxylate
TL;DR: Ethyl 3-phenylisoxazole-5-carboxylate (CAS 13599-24-1) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-1,2-oxazole-5-carboxylate
Also Known As: ethyl 3-phenylisoxazole-5-carboxylate, ethyl 3-phenyl-1,2-oxazole-5-carboxylate, Ethyl 5-phenyl-3-isoxazolecarboxylate, Ethyl3-phenylisoxazole-5-carboxylate, ethyl 3-phenyl-5-isoxazolecarboxylate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.5183 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 476.01892 |
Chemical Identifiers
| CAS Number | 13599-24-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NO1)C2=CC=CC=C2 |
Product Overview
Ethyl 3-phenylisoxazole-5-carboxylate (CAS 13599-24-1), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 3-phenyl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-phenylisoxazole-5-carboxylate
Property Insights of Ethyl 3-phenylisoxazole-5-carboxylate
The XLogP value of 2.5183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-phenylisoxazole-5-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Ethyl 3-phenylisoxazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylisoxazole-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 3-phenylisoxazole-5-carboxylate?
The CAS number of Ethyl 3-phenylisoxazole-5-carboxylate is 13599-24-1.
What is the molecular formula of Ethyl 3-phenylisoxazole-5-carboxylate?
The molecular formula of Ethyl 3-phenylisoxazole-5-carboxylate is C12H11NO3.
What is the molecular weight of Ethyl 3-phenylisoxazole-5-carboxylate?
The molecular weight of Ethyl 3-phenylisoxazole-5-carboxylate is 217.07 g/mol.
Where can I buy Ethyl 3-phenylisoxazole-5-carboxylate?
You can request a quote for Ethyl 3-phenylisoxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylisoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylisoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.