5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
TL;DR: 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid (CAS 957487-32-0) is a chemical compound with molecular formula C10H11N3O3 and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
Also Known As: 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid, BAS 11403054, 5-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-isoxazole-3-carboxylic acid, 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid, 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
| Molecular Formula | C10H11N3O3 |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 1.56462 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.08005 |
| Heavy Atoms | 16 |
| Complexity | 527.1517 |
Chemical Identifiers
| CAS Number | 957487-32-0 |
|---|---|
| SMILES | CCN1C(=C(C=N1)C2=CC(=NO2)C(=O)O)C |
Product Overview
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid (CAS 957487-32-0), with molecular formula C10H11N3O3 and molecular weight 221.08 g/mol. IUPAC: 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
Property Insights of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
The XLogP value of 1.56462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)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-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid?
The CAS number of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid is 957487-32-0.
What is the molecular formula of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid?
The molecular formula of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid is C10H11N3O3.
What is the molecular weight of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid?
The molecular weight of 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid is 221.08 g/mol.
Where can I buy 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid?
You can request a quote for 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)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-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.