![5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid structure](/static/products/956/956758-72-8.png)
5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid
TL;DR: 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid (CAS 956758-72-8) is a chemical compound with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Also Known As: 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid, 5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic Acid, 5-Methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-isoxazole-3-carboxylic acid, 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid, 5-Methyl-4-((4-nitro-1H-pyrazol-1-yl)methyl)isoxazole-3-carboxylic acid
| Molecular Formula | C9H8N4O5 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 0.83422 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.04947 |
| Heavy Atoms | 18 |
| Complexity | 614.25665 |
Chemical Identifiers
| CAS Number | 956758-72-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)CN2C=C(C=N2)[N+](=O)[O-] |
Product Overview
5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid (CAS 956758-72-8), with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol. IUPAC: 5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid
Property Insights of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid
The XLogP value of 0.83422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid. The TPSA of 124.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid?
The CAS number of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid is 956758-72-8.
What is the molecular formula of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid?
The molecular formula of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid is C9H8N4O5.
What is the molecular weight of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid?
The molecular weight of 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid is 252.05 g/mol.
Where can I buy 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid?
You can request a quote for 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]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-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.