![1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone structure](/static/products/4778/477888-34-9.webp)
1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone
TL;DR: 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone (CAS 477888-34-9) is a chemical compound with molecular formula C27H26N4O2S and molecular weight 470.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone
Also Known As: 1-(4-benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone, 2R-0018, 1-(4-benzylpiperazino)-2-{4-[4-(2-thienyl)-2-pyrimidinyl]phenoxy}-1-ethanone, 1-(4-benzylpiperazin-1-yl)-2-{4-[4-(thiophen-2-yl)pyrimidin-2-yl]phenoxy}ethan-1-one, 1-(4-benzylpiperazin-1-yl)-2-{4-[4-(thiophen-2-yl)pyrimidin-2-yl]phenoxy}ethanone
| Molecular Formula | C27H26N4O2S |
|---|---|
| Molecular Weight | 470.18 g/mol |
| LogP | 4.5953 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.17764 |
| Heavy Atoms | 34 |
| Complexity | 1205.1406 |
Chemical Identifiers
| CAS Number | 477888-34-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C4=NC=CC(=N4)C5=CC=CS5 |
Product Overview
1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone (CAS 477888-34-9), with molecular formula C27H26N4O2S and molecular weight 470.18 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone.
Chemical Property Profile of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone
Property Insights of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone
The XLogP value of 4.5953 indicates that 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]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-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone?
The CAS number of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone is 477888-34-9.
What is the molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone?
The molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone is C27H26N4O2S.
What is the molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone?
The molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone is 470.18 g/mol.
Where can I buy 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone?
You can request a quote for 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]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-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperazin-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.