5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
TL;DR: 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid (CAS 83817-53-2) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
Also Known As: 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid, EINECS 280-953-9, 5-methyl-3-(thiophen-2-yl)isoxazole-4-carboxylic acid, 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid, 5-methyl-3- isoxazole-4-carboxylicacid
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.40972 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 458.3654 |
Chemical Identifiers
| CAS Number | 83817-53-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CS2)C(=O)O |
Product Overview
5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid (CAS 83817-53-2), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: 5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
Property Insights of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
The XLogP value of 2.40972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-3-(2-thienyl)isoxazole-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 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid?
The CAS number of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid is 83817-53-2.
What is the molecular formula of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid?
The molecular formula of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid is C9H7NO3S.
What is the molecular weight of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid?
The molecular weight of 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid is 209.01 g/mol.
Where can I buy 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid?
You can request a quote for 5-Methyl-3-(2-thienyl)isoxazole-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-(2-thienyl)isoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.