![2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide structure](/static/products/1023/1023546-52-2.webp)
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
TL;DR: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CAS 1023546-52-2) is a chemical compound with molecular formula C22H21F6N3O3 and molecular weight 489.15 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-[3,5-bis(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide, 2-(4-(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYL)PIPERAZINYL)-N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHANAMIDE, 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide, 2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide, 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C22H21F6N3O3 |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 4.2092 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.1487 |
| Heavy Atoms | 34 |
| Complexity | 1016.9061 |
Chemical Identifiers
| CAS Number | 1023546-52-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F |
Product Overview
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CAS 1023546-52-2), with molecular formula C22H21F6N3O3 and molecular weight 489.15 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Property Insights of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
The XLogP value of 4.2092 indicates that 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 5 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-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is 1023546-52-2.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is C22H21F6N3O3.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is 489.15 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.