5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
TL;DR: 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone (CAS 634469-05-9) is a chemical compound with molecular formula C15H17ClN4O and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one
Also Known As: BAS 09523626, 5-(4-Benzyl-1-piperazinyl)-4-chloro-3-pyridazinol, 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone, AP-906/42845742, 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one
| Molecular Formula | C15H17ClN4O |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1091 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 634469-05-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)NN=C3)Cl |
| InChIKey | TWXSQWIBFLBSNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone (CAS 634469-05-9), with molecular formula C15H17ClN4O and molecular weight 304.11 g/mol. IUPAC: 4-(4-benzylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one.
Chemical Property Profile of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
Property Insights of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 47.9 Ų, 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone has 1 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 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
The CAS number of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is 634469-05-9.
What is the molecular formula of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
The molecular formula of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is C15H17ClN4O.
What is the molecular weight of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
The molecular weight of 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is 304.11 g/mol.
Where can I buy 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
You can request a quote for 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.