4-Pyrazolin-3-one, 1-phenyl-
TL;DR: 4-Pyrazolin-3-one, 1-phenyl- (CAS 1008-79-3) 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-4H-imidazol-5-one
Also Known As: 1-Fenyl-3-pyrazolon, 3-phenyl-4H-imidazol-5-one, 1-phenylimidazolinone, 4-Pyrazolin-3-one, 1-phenyl-, 1-Fenyl-3-pyrazolon [Czech]
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 1008-79-3 |
|---|---|
| SMILES | C1C(=O)N=CN1C2=CC=CC=C2 |
| InChIKey | KIWUSLOGPWBUND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyrazolin-3-one, 1-phenyl- (CAS 1008-79-3), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 3-phenyl-4H-imidazol-5-one.
Chemical Property Profile of 4-Pyrazolin-3-one, 1-phenyl-
Property Insights of 4-Pyrazolin-3-one, 1-phenyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrazolin-3-one, 1-phenyl-. With a topological polar surface area (TPSA) of 32.7 Ų, 4-Pyrazolin-3-one, 1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyrazolin-3-one, 1-phenyl- has 0 hydrogen bond donor(s) and 1 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-Pyrazolin-3-one, 1-phenyl-?
The CAS number of 4-Pyrazolin-3-one, 1-phenyl- is 1008-79-3.
What is the molecular formula of 4-Pyrazolin-3-one, 1-phenyl-?
The molecular formula of 4-Pyrazolin-3-one, 1-phenyl- is C9H8N2O.
What is the molecular weight of 4-Pyrazolin-3-one, 1-phenyl-?
The molecular weight of 4-Pyrazolin-3-one, 1-phenyl- is 160.06 g/mol.
Where can I buy 4-Pyrazolin-3-one, 1-phenyl-?
You can request a quote for 4-Pyrazolin-3-one, 1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrazolin-3-one, 1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrazolin-3-one, 1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.