![2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide structure](/static/products/872/872695-51-7.png)
2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide
TL;DR: 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide (CAS 872695-51-7) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
Also Known As: AB00687117-01, F1899-1417, 2-{[6-(2H-1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide, 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide, 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-phenethylacetamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.3233 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 948.86945 |
Chemical Identifiers
| CAS Number | 872695-51-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide (CAS 872695-51-7), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide
Property Insights of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide
The XLogP value of 3.3233 indicates that 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide has 1 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 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide?
The CAS number of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide is 872695-51-7.
What is the molecular formula of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide?
The molecular formula of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide is C21H19N3O3S.
What is the molecular weight of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide?
The molecular weight of 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide is 393.11 g/mol.
Where can I buy 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide?
You can request a quote for 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.