![5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid structure](/static/products/905/905809-11-2.png)
5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid
TL;DR: 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid (CAS 905809-11-2) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
Also Known As: 5-methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid, 5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid, 5-Methyl-4-((m-tolyloxy)methyl)isoxazole-3-carboxylic acid, 5-Methyl-4-m-tolyloxymethylisoxazole-3-carboxylic acid, 5-Methyl-4-((m-tolyloxy)methyl)isoxazole-3-carboxylicacid
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.56864 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 574.12024 |
Chemical Identifiers
| CAS Number | 905809-11-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=C(ON=C2C(=O)O)C |
Product Overview
5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid (CAS 905809-11-2), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid
Property Insights of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid
The XLogP value of 2.56864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-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
Frequently Asked Questions
What is the CAS number of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid?
The CAS number of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid is 905809-11-2.
What is the molecular formula of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid?
The molecular formula of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid is C13H13NO4.
What is the molecular weight of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid?
The molecular weight of 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid is 247.08 g/mol.
Where can I buy 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid?
You can request a quote for 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.