Benzpiperylon
TL;DR: Benzpiperylon (CAS 53-89-4) is a chemical compound with molecular formula C22H25N3O and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one
Also Known As: Benzpiperylone, Benzpiperilone, Benzometan, Reublonil, BENZPIPERYLON
| Molecular Formula | C22H25N3O |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.19977 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 53-89-4 |
|---|---|
| SMILES | CN1CCC(CC1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | KMGARVOVYXNAOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzpiperylon (CAS 53-89-4), with molecular formula C22H25N3O and molecular weight 347.20 g/mol. IUPAC: 4-benzyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of Benzpiperylon
Property Insights of Benzpiperylon
The XLogP value of 4.1 indicates that Benzpiperylon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, Benzpiperylon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzpiperylon has 1 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 Benzpiperylon?
The CAS number of Benzpiperylon is 53-89-4.
What is the molecular formula of Benzpiperylon?
The molecular formula of Benzpiperylon is C22H25N3O.
What is the molecular weight of Benzpiperylon?
The molecular weight of Benzpiperylon is 347.20 g/mol.
Where can I buy Benzpiperylon?
You can request a quote for Benzpiperylon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzpiperylon?
Yes, KEHONG BIO provides custom synthesis services for Benzpiperylon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.