3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid
TL;DR: 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid (CAS 499-90-1) is a chemical compound with molecular formula C8H9N3O3 and molecular weight 195.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Also Known As: sodium 4-fluorobenzoate, 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid, 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydro-isoxazole-5-carboxylic acid, 3-(1-methyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid, BAS 11403064
| Molecular Formula | C8H9N3O3 |
|---|---|
| Molecular Weight | 195.06 g/mol |
| LogP | -0.0023 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.06439 |
| Heavy Atoms | 14 |
| Complexity | 396.2907 |
Chemical Identifiers
| CAS Number | 499-90-1 |
|---|---|
| SMILES | CN1C=C(C=N1)C2=NOC(C2)C(=O)O |
Product Overview
3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid (CAS 499-90-1), with molecular formula C8H9N3O3 and molecular weight 195.06 g/mol. IUPAC: 3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid
Property Insights of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid
The XLogP value of -0.0023 indicates that 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-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-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid?
The CAS number of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid is 499-90-1.
What is the molecular formula of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid?
The molecular formula of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid is C8H9N3O3.
What is the molecular weight of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid?
The molecular weight of 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid is 195.06 g/mol.
Where can I buy 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid?
You can request a quote for 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-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-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.