(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone
TL;DR: (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone (CAS 898459-82-0) is a chemical compound with molecular formula C21H26ClN5O and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
Also Known As: 1-{6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyridazin-3-yl}azepane, F2604-0452, (4-(6-(azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone, [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
| Molecular Formula | C21H26ClN5O |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 3.4728 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1826 |
| Heavy Atoms | 28 |
| Complexity | 796.6982 |
Chemical Identifiers
| CAS Number | 898459-82-0 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl |
Product Overview
(4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone (CAS 898459-82-0), with molecular formula C21H26ClN5O and molecular weight 399.18 g/mol. IUPAC: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-chlorophenyl)methanone.
Chemical Property Profile of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone
Property Insights of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone
The XLogP value of 3.4728 indicates that (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone 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 (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone?
The CAS number of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone is 898459-82-0.
What is the molecular formula of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone?
The molecular formula of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone is C21H26ClN5O.
What is the molecular weight of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone?
The molecular weight of (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone is 399.18 g/mol.
Where can I buy (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone?
You can request a quote for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-(6-(Azepan-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.