![1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone structure](/static/products/6823/6823-17-2.webp)
1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
TL;DR: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone (CAS 6823-17-2) is a chemical compound with molecular formula C24H27N4OS+ and molecular weight 419.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Also Known As: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone, 4-(5-Acetyl-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-4-yl)-1-benzylpiperazin-1-ium
| Molecular Formula | C24H27N4OS+ |
|---|---|
| Molecular Weight | 419.19 g/mol |
| LogP | 3.01791 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.19055 |
| Heavy Atoms | 30 |
| Complexity | 1087.4388 |
Chemical Identifiers
| CAS Number | 6823-17-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C |
Product Overview
1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone (CAS 6823-17-2), with molecular formula C24H27N4OS+ and molecular weight 419.19 g/mol. IUPAC: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone.
Chemical Property Profile of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Property Insights of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
The XLogP value of 3.01791 indicates that 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.57 Ų, 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone has 1 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-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
The CAS number of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 6823-17-2.
What is the molecular formula of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
The molecular formula of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is C24H27N4OS+.
What is the molecular weight of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
The molecular weight of 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 419.19 g/mol.
Where can I buy 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
You can request a quote for 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.