4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid
TL;DR: 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid (CAS 1033076-72-0) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Also Known As: 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid, ASN 13473792, 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid, 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methylisoxazole-3-carboxylic acid, BRD-K49075788-001-01-6
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 1.61196 |
| Topological Polar Surface Area | 92.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 549.0238 |
Chemical Identifiers
| CAS Number | 1033076-72-0 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CC2=C(ON=C2C(=O)O)C |
Product Overview
4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid (CAS 1033076-72-0), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid
Property Insights of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid
The XLogP value of 1.61196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid. The TPSA of 92.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid has 2 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-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid?
The CAS number of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid is 1033076-72-0.
What is the molecular formula of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid?
The molecular formula of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid is C11H13N3O3.
What is the molecular weight of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid?
The molecular weight of 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid is 235.10 g/mol.
Where can I buy 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid?
You can request a quote for 4-((3,5-Dimethyl-1H-pyrazol-4-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-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)-5-methylisoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.