3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
TL;DR: 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid (CAS 93041-45-3) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid, 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic Acid, 3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarboxylic acid, BUTTPARK 99\12-51, 3- -5-METHYL-4-ISOXAZOLECARBOXYLICACID
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.35682 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 542.1333 |
Chemical Identifiers
| CAS Number | 93041-45-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(C=C2)OC)C(=O)O |
Product Overview
3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid (CAS 93041-45-3), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
Property Insights of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
The XLogP value of 2.35682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-5-methylisoxazole-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
Frequently Asked Questions
What is the CAS number of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid?
The CAS number of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid is 93041-45-3.
What is the molecular formula of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid?
The molecular formula of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid is C12H11NO4.
What is the molecular weight of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid?
The molecular weight of 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid is 233.07 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid?
You can request a quote for 3-(4-Methoxyphenyl)-5-methylisoxazole-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-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.