Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate
TL;DR: Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate (CAS 30979-40-9) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetate
Also Known As: Ethyl 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetate, J1.271.516A, 3-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-acetic acid ethyl ester, ethyl 2-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)acetate, Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 0.1577 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 260.11475 |
Chemical Identifiers
| CAS Number | 30979-40-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)CC(=N1)C |
Product Overview
Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate (CAS 30979-40-9), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: ethyl 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetate.
Chemical Property Profile of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate
Property Insights of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate
The XLogP value of 0.1577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate. With a topological polar surface area (TPSA) of 58.97 Ų, Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate has 0 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 Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate?
The CAS number of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate is 30979-40-9.
What is the molecular formula of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate?
The molecular formula of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate is C8H12N2O3.
What is the molecular weight of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate?
The molecular weight of Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate is 184.08 g/mol.
Where can I buy Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate?
You can request a quote for Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.