Ethyl 5-methylisoxazole-3-carboxylate
TL;DR: Ethyl 5-methylisoxazole-3-carboxylate (CAS 3209-72-1) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-1,2-oxazole-3-carboxylate
Also Known As: Ethyl 5-methylisoxazole-3-carboxylate, ethyl 5-methyl-1,2-oxazole-3-carboxylate, 3-Ethoxycarbonyl-5-methylisoxazole, Ethyl5-methylisoxazole-3-carboxylate, Ethyl 5-methylisoxazol-3-carboxylate
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 3209-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1)C |
| InChIKey | OCCIGHIQVMLYBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-methylisoxazole-3-carboxylate (CAS 3209-72-1), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: ethyl 5-methyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-methylisoxazole-3-carboxylate
Property Insights of Ethyl 5-methylisoxazole-3-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methylisoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 5-methylisoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methylisoxazole-3-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 5-methylisoxazole-3-carboxylate?
The CAS number of Ethyl 5-methylisoxazole-3-carboxylate is 3209-72-1.
What is the molecular formula of Ethyl 5-methylisoxazole-3-carboxylate?
The molecular formula of Ethyl 5-methylisoxazole-3-carboxylate is C7H9NO3.
What is the molecular weight of Ethyl 5-methylisoxazole-3-carboxylate?
The molecular weight of Ethyl 5-methylisoxazole-3-carboxylate is 155.06 g/mol.
Where can I buy Ethyl 5-methylisoxazole-3-carboxylate?
You can request a quote for Ethyl 5-methylisoxazole-3-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-methylisoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methylisoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.