3-Methyl-5-phenylisoxazole-4-carboxylic acid
TL;DR: 3-Methyl-5-phenylisoxazole-4-carboxylic acid (CAS 17153-21-8) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-methyl-5-phenylisoxazole-4-carboxylic acid, 3-methyl-5-phenyl-4-isoxazolecarboxylic acid, 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid, BUTTPARK 95\50-96, SDCCGMLS-0066026.P001
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 2.34822 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 487.78906 |
Chemical Identifiers
| CAS Number | 17153-21-8 |
|---|---|
| SMILES | CC1=NOC(=C1C(=O)O)C2=CC=CC=C2 |
Product Overview
3-Methyl-5-phenylisoxazole-4-carboxylic acid (CAS 17153-21-8), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-Methyl-5-phenylisoxazole-4-carboxylic acid
Property Insights of 3-Methyl-5-phenylisoxazole-4-carboxylic acid
The XLogP value of 2.34822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-phenylisoxazole-4-carboxylic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-phenylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Methyl-5-phenylisoxazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-Methyl-5-phenylisoxazole-4-carboxylic acid?
The CAS number of 3-Methyl-5-phenylisoxazole-4-carboxylic acid is 17153-21-8.
What is the molecular formula of 3-Methyl-5-phenylisoxazole-4-carboxylic acid?
The molecular formula of 3-Methyl-5-phenylisoxazole-4-carboxylic acid is C11H9NO3.
What is the molecular weight of 3-Methyl-5-phenylisoxazole-4-carboxylic acid?
The molecular weight of 3-Methyl-5-phenylisoxazole-4-carboxylic acid is 203.06 g/mol.
Where can I buy 3-Methyl-5-phenylisoxazole-4-carboxylic acid?
You can request a quote for 3-Methyl-5-phenylisoxazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-phenylisoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-phenylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.