![4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid structure](/static/products/956/956449-75-5.png)
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid
TL;DR: 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid (CAS 956449-75-5) is a chemical compound with molecular formula C9H8ClN3O3 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Also Known As: 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid, 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid, 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic Acid, 4-[(4-chloropyrazolyl)methyl]-5-methylisoxazole-3-carboxylic acid, 4-((4-Chloro-1H-pyrazol-1-yl)methyl)-5-methylisoxazole-3-carboxylic acid
| Molecular Formula | C9H8ClN3O3 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 1.57942 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.02542 |
| Heavy Atoms | 16 |
| Complexity | 531.8417 |
Chemical Identifiers
| CAS Number | 956449-75-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)CN2C=C(C=N2)Cl |
Product Overview
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid (CAS 956449-75-5), with molecular formula C9H8ClN3O3 and molecular weight 241.03 g/mol. IUPAC: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid
Property Insights of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid
The XLogP value of 1.57942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-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 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid?
The CAS number of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid is 956449-75-5.
What is the molecular formula of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid?
The molecular formula of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid is C9H8ClN3O3.
What is the molecular weight of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid?
The molecular weight of 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid is 241.03 g/mol.
Where can I buy 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid?
You can request a quote for 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-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 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.