5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
TL;DR: 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone (CAS 691867-23-9) is a chemical compound with molecular formula C21H21ClN4O and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzhydrylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one
Also Known As: AP-906/42845743, 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone, 4-(4-benzhydrylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one, 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3(2H)-one
| Molecular Formula | C21H21ClN4O |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 3.3349 |
| Topological Polar Surface Area | 52.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.14038 |
| Heavy Atoms | 27 |
| Complexity | 897.6553 |
Chemical Identifiers
| CAS Number | 691867-23-9 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C(=O)NN=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone (CAS 691867-23-9), with molecular formula C21H21ClN4O and molecular weight 380.14 g/mol. IUPAC: 4-(4-benzhydrylpiperazin-1-yl)-5-chloro-1H-pyridazin-6-one.
Chemical Property Profile of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
Property Insights of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
The XLogP value of 3.3349 indicates that 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.23 Ų, 5-(4-benzhydryl-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-benzhydryl-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-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
The CAS number of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is 691867-23-9.
What is the molecular formula of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
The molecular formula of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is C21H21ClN4O.
What is the molecular weight of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
The molecular weight of 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone is 380.14 g/mol.
Where can I buy 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
You can request a quote for 5-(4-benzhydryl-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-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.