![1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone structure](/static/products/6851/685131-52-6.webp)
1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
TL;DR: 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone (CAS 685131-52-6) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Also Known As: 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone, 1-{4-[4-(2-furoyl)-1-piperazinyl]-6-methyl-1-phenyl-2-thioxo-1,2-dihydro-5-pyrimidinyl}ethanone, 1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}ethan-1-one, 1-(4-(4-(furan-2-carbonyl)piperazin-1-yl)-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl)ethanone, 1-{4-[4-(2-furoyl)-1-piperazinyl]-6-methyl-1-phenyl-2-thioxo-1,2-dihydro-5-pyrimidinyl}-1-ethanone
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.66821 |
| Topological Polar Surface Area | 71.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1131.1893 |
Chemical Identifiers
| CAS Number | 685131-52-6 |
|---|---|
| SMILES | CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C(=O)C |
Product Overview
1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone (CAS 685131-52-6), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone.
Chemical Property Profile of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
Property Insights of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
The XLogP value of 3.66821 indicates that 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone 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-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
The CAS number of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 685131-52-6.
What is the molecular formula of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
The molecular formula of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is C22H22N4O3S.
What is the molecular weight of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
The molecular weight of 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone is 422.14 g/mol.
Where can I buy 1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
You can request a quote for 1-[4-[4-(furan-2-carbonyl)piperazin-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-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[4-(furan-2-carbonyl)piperazin-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.