3-Ethyl-5-phenylisoxazole
TL;DR: 3-Ethyl-5-phenylisoxazole (CAS 4211-90-9) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-phenyl-1,2-oxazole
Also Known As: 3-Ethyl-5-phenylisoxazole, 3-ethyl-5-phenyl-1,2-oxazole, 3-ethyl-5-phenyl-isoxazole, Isoxazole, 3-ethyl-5-phenyl-, 3-Ethyl-5-phenylisoxazole #
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 4211-90-9 |
|---|---|
| SMILES | CCC1=NOC(=C1)C2=CC=CC=C2 |
| InChIKey | ZGLWUJVEEZGKDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-5-phenylisoxazole (CAS 4211-90-9), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 3-ethyl-5-phenyl-1,2-oxazole.
Chemical Property Profile of 3-Ethyl-5-phenylisoxazole
Property Insights of 3-Ethyl-5-phenylisoxazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-phenylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Ethyl-5-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-5-phenylisoxazole has 0 hydrogen bond donor(s) and 2 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 3-Ethyl-5-phenylisoxazole?
The CAS number of 3-Ethyl-5-phenylisoxazole is 4211-90-9.
What is the molecular formula of 3-Ethyl-5-phenylisoxazole?
The molecular formula of 3-Ethyl-5-phenylisoxazole is C11H11NO.
What is the molecular weight of 3-Ethyl-5-phenylisoxazole?
The molecular weight of 3-Ethyl-5-phenylisoxazole is 173.08 g/mol.
Where can I buy 3-Ethyl-5-phenylisoxazole?
You can request a quote for 3-Ethyl-5-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.