2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate
TL;DR: 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate (CAS 865658-46-4) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate
Also Known As: 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate, 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate, 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzoate, 2-(3-methyl-5-oxo-1-phenyl-2H-pyrazol-4-yl)ethyl 4-methylbenzoate, 2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.18194 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 921.82513 |
Chemical Identifiers
| CAS Number | 865658-46-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCC2=C(NN(C2=O)C3=CC=CC=C3)C |
Product Overview
2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate (CAS 865658-46-4), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate.
Chemical Property Profile of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate
Property Insights of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate
The XLogP value of 3.18194 indicates that 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate. Following Lipinski's Rule of Five, 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate 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 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate?
The CAS number of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate is 865658-46-4.
What is the molecular formula of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate?
The molecular formula of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate is C20H20N2O3.
What is the molecular weight of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate?
The molecular weight of 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate is 336.15 g/mol.
Where can I buy 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate?
You can request a quote for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.