5-Methyl-3-phenylisoxazole-4-carboxylic acid
TL;DR: 5-Methyl-3-phenylisoxazole-4-carboxylic acid (CAS 1136-45-4) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Also Known As: 5-Methyl-3-phenylisoxazole-4-carboxylic acid, Pmic acid, 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, Oxacillin Impurity 2, 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.05824 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05824 Da |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O |
| InChIKey | PENHKTNQUJMHIR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-3-phenylisoxazole-4-carboxylic acid
Property Insights of 5-Methyl-3-phenylisoxazole-4-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-phenylisoxazole-4-carboxylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-phenylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-3-phenylisoxazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Methyl-3-phenylisoxazole-4-carboxylic acid?
The CAS number of 5-Methyl-3-phenylisoxazole-4-carboxylic acid is 1136-45-4.
What is the molecular formula of 5-Methyl-3-phenylisoxazole-4-carboxylic acid?
The molecular formula of 5-Methyl-3-phenylisoxazole-4-carboxylic acid is C11H9NO3.
What is the molecular weight of 5-Methyl-3-phenylisoxazole-4-carboxylic acid?
The molecular weight of 5-Methyl-3-phenylisoxazole-4-carboxylic acid is 203.05824 g/mol.
Where can I buy 5-Methyl-3-phenylisoxazole-4-carboxylic acid?
You can request a quote for 5-Methyl-3-phenylisoxazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-3-phenylisoxazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-3-phenylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.