1-Phenyl-3-methyl-4-formyl-5-pyrazolone
TL;DR: 1-Phenyl-3-methyl-4-formyl-5-pyrazolone (CAS 17364-41-9) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde
Also Known As: 3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde, 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde, 4-Formyl-3-methyl-1-phenyl-2-pyrazolin-5-one, 2-Pyrazolin-5-one, 4-formyl-3-methyl-1-phenyl-, 1-Phenyl-3-methyl-4-formyl-5-pyrazolone
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 17364-41-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C=O)C2=CC=CC=C2 |
| InChIKey | RGDIXYRCPLMSGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-methyl-4-formyl-5-pyrazolone (CAS 17364-41-9), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone
Property Insights of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-methyl-4-formyl-5-pyrazolone. With a topological polar surface area (TPSA) of 49.7 Ų, 1-Phenyl-3-methyl-4-formyl-5-pyrazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-methyl-4-formyl-5-pyrazolone 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 1-Phenyl-3-methyl-4-formyl-5-pyrazolone?
The CAS number of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone is 17364-41-9.
What is the molecular formula of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone?
The molecular formula of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone is C11H10N2O2.
What is the molecular weight of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone?
The molecular weight of 1-Phenyl-3-methyl-4-formyl-5-pyrazolone is 202.07 g/mol.
Where can I buy 1-Phenyl-3-methyl-4-formyl-5-pyrazolone?
You can request a quote for 1-Phenyl-3-methyl-4-formyl-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-methyl-4-formyl-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-methyl-4-formyl-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.