![1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one structure](/static/products/5460/546063-97-2.webp)
1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one
TL;DR: 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one (CAS 546063-97-2) is a chemical compound with molecular formula C16H15F7N2O3 and molecular weight 416.10 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]-2,2,3,3,4,4,4-heptafluorobutan-1-one
Also Known As: 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one, 1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluoro-butan-1-one
| Molecular Formula | C16H15F7N2O3 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.8924 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.09708 |
| Heavy Atoms | 28 |
| Complexity | 746.2437 |
Chemical Identifiers
| CAS Number | 546063-97-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one (CAS 546063-97-2), with molecular formula C16H15F7N2O3 and molecular weight 416.10 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one.
Chemical Property Profile of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one
Property Insights of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one
The XLogP value of 2.8924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one. With a topological polar surface area (TPSA) of 42.01 Ų, 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one has 0 hydrogen bond donor(s) and 4 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-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one?
The CAS number of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one is 546063-97-2.
What is the molecular formula of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one?
The molecular formula of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one is C16H15F7N2O3.
What is the molecular weight of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one?
The molecular weight of 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one is 416.10 g/mol.
Where can I buy 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one?
You can request a quote for 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-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}-2,2,3,3,4,4,4-heptafluorobutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.