4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid
TL;DR: 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid (CAS 30979-39-6) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetic acid
Also Known As: 2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetic acid, 4,5-Dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid, EINECS 250-409-5, 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetic acid, (3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetic acid
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | -0.3208 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 233.98189 |
Chemical Identifiers
| CAS Number | 30979-39-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)CC(=O)O |
Product Overview
4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid (CAS 30979-39-6), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetic acid.
Chemical Property Profile of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid
Property Insights of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid
The XLogP value of -0.3208 indicates that 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid. Following Lipinski's Rule of Five, 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic 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 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid?
The CAS number of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid is 30979-39-6.
What is the molecular formula of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid?
The molecular formula of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid is C6H8N2O3.
What is the molecular weight of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid?
The molecular weight of 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid is 156.05 g/mol.
Where can I buy 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid?
You can request a quote for 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.