ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate
TL;DR: ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 4445-81-2) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate
Also Known As: ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate, ethyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate, ethyl 4-(3-methyl-5-oxo-3-pyrazolinyl)benzoate, ethyl 4-(3-methyl-5-oxo-2H-pyrazol-1-yl)benzoate
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.65072 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 607.91174 |
Chemical Identifiers
| CAS Number | 4445-81-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(N2)C |
Product Overview
ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 4445-81-2), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: ethyl 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate.
Chemical Property Profile of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate
Property Insights of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate
The XLogP value of 1.65072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate 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 ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate?
The CAS number of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate is 4445-81-2.
What is the molecular formula of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate?
The molecular formula of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate is C13H14N2O3.
What is the molecular weight of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate?
The molecular weight of ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate is 246.10 g/mol.
Where can I buy ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate?
You can request a quote for ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.