3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
TL;DR: 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (CAS 890597-25-8) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)butanoic acid
Also Known As: 3- butanoicacid, 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid, CBKinase1_011874, CBKinase1_024274, 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)butanoic acid
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.73824 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 434.68323 |
Chemical Identifiers
| CAS Number | 890597-25-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C(C)CC(=O)O)C)C(=O)C |
Product Overview
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (CAS 890597-25-8), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)butanoic acid.
Chemical Property Profile of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
Property Insights of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
The XLogP value of 1.73824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
The CAS number of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is 890597-25-8.
What is the molecular formula of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
The molecular formula of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is C11H16N2O3.
What is the molecular weight of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
The molecular weight of 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid is 224.12 g/mol.
Where can I buy 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
You can request a quote for 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.