![1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone structure](/static/products/872/872695-57-3.png)
1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone
TL;DR: 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone (CAS 872695-57-3) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone
Also Known As: F1899-1424, 1-(azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone, 1-(azepan-1-yl)-2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-{[6-(2H-1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.367 |
| Topological Polar Surface Area | 64.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 774.0989 |
Chemical Identifiers
| CAS Number | 872695-57-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 |
Product Overview
1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone (CAS 872695-57-3), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: 1-(azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone
Property Insights of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone
The XLogP value of 3.367 indicates that 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone has 0 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone?
The CAS number of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone is 872695-57-3.
What is the molecular formula of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone?
The molecular formula of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone is C19H21N3O3S.
What is the molecular weight of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone?
The molecular weight of 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone is 371.13 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone?
You can request a quote for 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone 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-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.