4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one
TL;DR: 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one (CAS 904005-39-6) is a chemical compound with molecular formula C21H20ClFN4O and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(4-fluorophenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
Also Known As: 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one, 4-chloro-2-[(4-fluorophenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one
| Molecular Formula | C21H20ClFN4O |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.4107 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13098 |
| Heavy Atoms | 28 |
| Complexity | 999.1642 |
Chemical Identifiers
| CAS Number | 904005-39-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)CC4=CC=C(C=C4)F)Cl |
Product Overview
4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one (CAS 904005-39-6), with molecular formula C21H20ClFN4O and molecular weight 398.13 g/mol. IUPAC: 4-chloro-2-[(4-fluorophenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one.
Chemical Property Profile of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one
Property Insights of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one
The XLogP value of 3.4107 indicates that 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.37 Ų, 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one has 0 hydrogen bond donor(s) and 4 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-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one?
The CAS number of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one is 904005-39-6.
What is the molecular formula of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one?
The molecular formula of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one is C21H20ClFN4O.
What is the molecular weight of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one?
The molecular weight of 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one is 398.13 g/mol.
Where can I buy 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one?
You can request a quote for 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(4-fluorobenzyl)-5-(4-phenylpiperazin-1-yl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.