1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone
TL;DR: 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone (CAS 626223-40-3) is a chemical compound with molecular formula C18H20FN3OS and molecular weight 345.13 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-fluorophenyl)pyridazin-3-yl]sulfanylethanone
Also Known As: F1899-1214, 1-(azepan-1-yl)-2-{[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl}ethan-1-one, 1-(azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
| Molecular Formula | C18H20FN3OS |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 3.7774 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1311 |
| Heavy Atoms | 24 |
| Complexity | 667.66815 |
Chemical Identifiers
| CAS Number | 626223-40-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F |
Product Overview
1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone (CAS 626223-40-3), with molecular formula C18H20FN3OS and molecular weight 345.13 g/mol. IUPAC: 1-(azepan-1-yl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone
Property Insights of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone
The XLogP value of 3.7774 indicates that 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone is 626223-40-3.
What is the molecular formula of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone is C18H20FN3OS.
What is the molecular weight of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone is 345.13 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)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-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-((6-(4-fluorophenyl)pyridazin-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.