Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-
TL;DR: Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- (CAS 107430-31-9) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylphenyl)-5-methyl-4H-pyrazol-3-one
Also Known As: Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-, 2-(4-ethylphenyl)-5-methyl-4H-pyrazol-3-one, 1-(4-ethylphenyl)-3-methyl-2-pyrazolin-5-one, 2-(4-Ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one #
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 107430-31-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)CC(=N2)C |
| InChIKey | WVBMMAGKFYAKIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- (CAS 107430-31-9), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 2-(4-ethylphenyl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-
Property Insights of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-. With a topological polar surface area (TPSA) of 32.7 Ų, Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- 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 Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-?
The CAS number of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- is 107430-31-9.
What is the molecular formula of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-?
The molecular formula of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- is C12H14N2O.
What is the molecular weight of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-?
The molecular weight of Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- is 202.11 g/mol.
Where can I buy Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-?
You can request a quote for Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.