![2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide structure](/static/products/4991/499197-53-4.webp)
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
TL;DR: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CAS 499197-53-4) is a chemical compound with molecular formula C21H22F3N3O3S and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide, 2-(4-(BENZO[D]1,3-DIOXOLAN-5-YLMETHYL)PIPERAZINYL)-N-(4-(TRIFLUOROMETHYLTHIO)PHENYL)ETHANAMIDE, AO-990/40758324, 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-{4-[(trifluoromethyl)sulfanyl]phenyl}acetamide, 4-(1,3-Benzodioxol-5-ylmethyl)-N-[4-[(trifluoromethyl)thio]phenyl]-1-piperazineacetamide
| Molecular Formula | C21H22F3N3O3S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 3.7835 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1334 |
| Heavy Atoms | 31 |
| Complexity | 916.32135 |
Chemical Identifiers
| CAS Number | 499197-53-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)SC(F)(F)F |
Product Overview
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CAS 499197-53-4), with molecular formula C21H22F3N3O3S and molecular weight 453.13 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
Property Insights of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
The XLogP value of 3.7835 indicates that 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide 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-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is 499197-53-4.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is C21H22F3N3O3S.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is 453.13 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
You can request a quote for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.