5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
TL;DR: 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CAS 33282-17-6) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
Also Known As: 5-(3,4-dimethoxyphenyl)isoxazole-3-carboxylic acid, 5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid, 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid, 7-Fluoro-5-methylisatin, BAS 07803750
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.057 |
| Topological Polar Surface Area | 81.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 575.5968 |
Chemical Identifiers
| CAS Number | 33282-17-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)O)OC |
Product Overview
5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CAS 33282-17-6), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
Property Insights of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
The XLogP value of 2.057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid. The TPSA of 81.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The CAS number of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is 33282-17-6.
What is the molecular formula of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The molecular formula of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is C12H11NO5.
What is the molecular weight of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The molecular weight of 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is 249.06 g/mol.
Where can I buy 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
You can request a quote for 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-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-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.