3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid
TL;DR: 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid (CAS 957503-52-5) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Also Known As: BAS 11403063, 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid, 3-(1-ethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid, 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-isoxazole-5-carboxylic acid, 3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
| Molecular Formula | C9H11N3O3 |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 0.4806 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08005 |
| Heavy Atoms | 15 |
| Complexity | 410.49 |
Chemical Identifiers
| CAS Number | 957503-52-5 |
|---|---|
| SMILES | CCN1C=C(C=N1)C2=NOC(C2)C(=O)O |
Product Overview
3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid (CAS 957503-52-5), with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol. IUPAC: 3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid
Property Insights of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid
The XLogP value of 0.4806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid. Following Lipinski's Rule of Five, 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic 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-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid?
The CAS number of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid is 957503-52-5.
What is the molecular formula of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid?
The molecular formula of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid is C9H11N3O3.
What is the molecular weight of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid?
The molecular weight of 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid is 209.08 g/mol.
Where can I buy 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid?
You can request a quote for 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic 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-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Ethyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.