4-Methyl-5-phenylisoxazole
TL;DR: 4-Methyl-5-phenylisoxazole (CAS 14677-22-6) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-phenyl-1,2-oxazole
Also Known As: 4-Methyl-5-phenylisoxazole, 4-methyl-5-phenyl-1,2-oxazole, Isoxazole, 4-methyl-5-phenyl-, 4-Methyl-5-phenylisoxazole #, Isoxazole, 4-methyl-5-phenyl- (6CI,8CI,9CI)
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 14677-22-6 |
|---|---|
| SMILES | CC1=C(ON=C1)C2=CC=CC=C2 |
| InChIKey | ZRJQHYLLYUTCBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-5-phenylisoxazole (CAS 14677-22-6), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 4-methyl-5-phenyl-1,2-oxazole.
Chemical Property Profile of 4-Methyl-5-phenylisoxazole
Property Insights of 4-Methyl-5-phenylisoxazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-phenylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Methyl-5-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-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 4-Methyl-5-phenylisoxazole?
The CAS number of 4-Methyl-5-phenylisoxazole is 14677-22-6.
What is the molecular formula of 4-Methyl-5-phenylisoxazole?
The molecular formula of 4-Methyl-5-phenylisoxazole is C10H9NO.
What is the molecular weight of 4-Methyl-5-phenylisoxazole?
The molecular weight of 4-Methyl-5-phenylisoxazole is 159.07 g/mol.
Where can I buy 4-Methyl-5-phenylisoxazole?
You can request a quote for 4-Methyl-5-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.