5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid
TL;DR: 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid (CAS 91569-59-4) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid
Also Known As: 5-Methyl-3-p-tolyl-isoxazole-4-carboxylic acid, 5-METHYL-3-(P-TOLYL)ISOXAZOLE-4-CARBOXYLIC ACID, 5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid, 5-methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid, BAS 03220393
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.65664 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 525.69696 |
Chemical Identifiers
| CAS Number | 91569-59-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=C2C(=O)O)C |
Product Overview
5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid (CAS 91569-59-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid
Property Insights of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid
The XLogP value of 2.65664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-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 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The CAS number of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid is 91569-59-4.
What is the molecular formula of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The molecular formula of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid is C12H11NO3.
What is the molecular weight of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid?
The molecular weight of 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid is 217.07 g/mol.
Where can I buy 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid?
You can request a quote for 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-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 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.