3-Phenyl-5-pyrazolone
TL;DR: 3-Phenyl-5-pyrazolone (CAS 4860-93-9) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,4-dihydropyrazol-5-one
Also Known As: 5-Phenyl-2,4-dihydro-3H-pyrazol-3-one, 3-Phenyl-5-pyrazolone, 3-phenyl-4,5-dihydro-1h-pyrazol-5-one, 3-Phenyl-2-pyrazolin-5-one, 3-phenylpyrazol-5-one
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 4860-93-9 |
|---|---|
| SMILES | C1C(=NNC1=O)C2=CC=CC=C2 |
| InChIKey | OXRSFHYBIRFJSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-5-pyrazolone (CAS 4860-93-9), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 3-phenyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3-Phenyl-5-pyrazolone
Property Insights of 3-Phenyl-5-pyrazolone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-5-pyrazolone. With a topological polar surface area (TPSA) of 41.5 Ų, 3-Phenyl-5-pyrazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-pyrazolone has 1 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 3-Phenyl-5-pyrazolone?
The CAS number of 3-Phenyl-5-pyrazolone is 4860-93-9.
What is the molecular formula of 3-Phenyl-5-pyrazolone?
The molecular formula of 3-Phenyl-5-pyrazolone is C9H8N2O.
What is the molecular weight of 3-Phenyl-5-pyrazolone?
The molecular weight of 3-Phenyl-5-pyrazolone is 160.06 g/mol.
Where can I buy 3-Phenyl-5-pyrazolone?
You can request a quote for 3-Phenyl-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.