1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
TL;DR: 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone (CAS 872689-32-2) is a chemical compound with molecular formula C19H23N3OS and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone
Also Known As: F1899-0794, 1-(azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone, 1-(azepan-1-yl)-2-{[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C19H23N3OS |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.94672 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1562 |
| Heavy Atoms | 24 |
| Complexity | 662.0162 |
Chemical Identifiers
| CAS Number | 872689-32-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3 |
Product Overview
1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone (CAS 872689-32-2), with molecular formula C19H23N3OS and molecular weight 341.16 g/mol. IUPAC: 1-(azepan-1-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
Property Insights of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
The XLogP value of 3.94672 indicates that 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone 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 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone is 872689-32-2.
What is the molecular formula of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone is C19H23N3OS.
What is the molecular weight of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone is 341.16 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.