4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
TL;DR: 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one (CAS 22123-17-7) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-propan-2-ylidenepyrazol-3-one
Also Known As: Edaravone Impurity 34, ChemDiv3_000480, 5-methyl-2-phenyl-4-propan-2-ylidene-3-pyrazolone, 5-methyl-2-phenyl-4-propan-2-ylidenepyrazol-3-one, 3-Methyl-1-phenyl-4-(propan-2-ylidene)-1H-pyrazol-5(4H)-one
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.7455 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 481.91388 |
Chemical Identifiers
| CAS Number | 22123-17-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=C(C)C)C2=CC=CC=C2 |
Product Overview
4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one (CAS 22123-17-7), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 5-methyl-2-phenyl-4-propan-2-ylidenepyrazol-3-one.
Chemical Property Profile of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
Property Insights of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
The XLogP value of 2.7455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.67 Ų, 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one has 0 hydrogen bond donor(s) and 2 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-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
The CAS number of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is 22123-17-7.
What is the molecular formula of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
The molecular formula of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is C13H14N2O.
What is the molecular weight of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
The molecular weight of 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is 214.11 g/mol.
Where can I buy 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
You can request a quote for 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.