3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one
TL;DR: 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one (CAS 86119-99-5) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-(2-phenylacetyl)-4H-pyrazol-3-one
Also Known As: 5-methyl-2-phenyl-4-(2-phenylacetyl)-4H-pyrazol-3-one, 3-methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one, 4-(Phenylacetyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 3-methyl-1-phenyl-4-(2-phenylacetyl)-1H-pyrazol-5(4H)-one, 3-methyl-1-phenyl-4-(2-phenylacetyl)-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.8371 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 723.2671 |
Chemical Identifiers
| CAS Number | 86119-99-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(=O)CC2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one (CAS 86119-99-5), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 5-methyl-2-phenyl-4-(2-phenylacetyl)-4H-pyrazol-3-one.
Chemical Property Profile of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one
Property Insights of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one
The XLogP value of 2.8371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one. With a topological polar surface area (TPSA) of 49.74 Ų, 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one has 0 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-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one?
The CAS number of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one is 86119-99-5.
What is the molecular formula of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one?
The molecular formula of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one is C18H16N2O2.
What is the molecular weight of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one?
The molecular weight of 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one is 292.12 g/mol.
Where can I buy 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one?
You can request a quote for 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-phenyl-4-(2-phenylacetyl)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.