![1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one structure](/static/products/7102/710288-75-8.webp)
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
TL;DR: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one (CAS 710288-75-8) is a chemical compound with molecular formula C25H23F3N4O3S and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
Also Known As: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethanone, 1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-[4-phenyl-6-(trifl uoromethyl)pyrimidin-2-ylthio]ethan-1-one
| Molecular Formula | C25H23F3N4O3S |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 4.3276 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.1443 |
| Heavy Atoms | 36 |
| Complexity | 1234.9642 |
Chemical Identifiers
| CAS Number | 710288-75-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5 |
Product Overview
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one (CAS 710288-75-8), with molecular formula C25H23F3N4O3S and molecular weight 516.14 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.
Chemical Property Profile of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Property Insights of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
The XLogP value of 4.3276 indicates that 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one. Following Lipinski's Rule of Five, 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one?
The CAS number of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one is 710288-75-8.
What is the molecular formula of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one?
The molecular formula of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one is C25H23F3N4O3S.
What is the molecular weight of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one?
The molecular weight of 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one is 516.14 g/mol.
Where can I buy 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one?
You can request a quote for 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.