1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone
TL;DR: 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone (CAS 898459-91-1) is a chemical compound with molecular formula C22H28ClN5O and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
Also Known As: F2604-0472, 1-(4-(6-(azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone, 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone, 1-{4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl}-2-(4-chlorophenyl)ethan-1-one
| Molecular Formula | C22H28ClN5O |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 3.4017 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.19824 |
| Heavy Atoms | 29 |
| Complexity | 794.9573 |
Chemical Identifiers
| CAS Number | 898459-91-1 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)Cl |
Product Overview
1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone (CAS 898459-91-1), with molecular formula C22H28ClN5O and molecular weight 413.20 g/mol. IUPAC: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone.
Chemical Property Profile of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone
Property Insights of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone
The XLogP value of 3.4017 indicates that 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone has 0 hydrogen bond donor(s) and 5 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 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone?
The CAS number of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone is 898459-91-1.
What is the molecular formula of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone?
The molecular formula of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone is C22H28ClN5O.
What is the molecular weight of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone?
The molecular weight of 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone is 413.20 g/mol.
Where can I buy 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone?
You can request a quote for 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.