3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-
TL;DR: 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- (CAS 22616-35-9) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 2-Pyrazolin-5-one, 4-butyryl-3-methyl-1-phenyl-, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-, 4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-Butyryl-3-methyl-1-phenyl-2-pyrazolin-5-one, 4-Butyryl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 22616-35-9 |
|---|---|
| SMILES | CCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C |
| InChIKey | DGINUZKPVPBSRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- (CAS 22616-35-9), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-
Property Insights of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-. With a topological polar surface area (TPSA) of 49.7 Ų, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- 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 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-?
The CAS number of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- is 22616-35-9.
What is the molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-?
The molecular formula of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- is C14H16N2O2.
What is the molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-?
The molecular weight of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- is 244.12 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-?
You can request a quote for 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxobutyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.