3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
TL;DR: 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid (CAS 54069-85-1) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
Also Known As: 3-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole-5-carboxylic acid, 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid, 3-(naphthalen-2-yl)pyridine, BAS 13528195, 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 1.08172 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 512.4048 |
Chemical Identifiers
| CAS Number | 54069-85-1 |
|---|---|
| SMILES | CC1=C(C=NN1C)C2=NOC(=C2)C(=O)O |
Product Overview
3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid (CAS 54069-85-1), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: 3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
Property Insights of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid
The XLogP value of 1.08172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-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-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid?
The CAS number of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid is 54069-85-1.
What is the molecular formula of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid?
The molecular formula of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid is C9H9N3O3.
What is the molecular weight of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid?
The molecular weight of 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid is 207.06 g/mol.
Where can I buy 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid?
You can request a quote for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-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-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.