1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine (CAS 546099-49-4) is a chemical compound with molecular formula C19H15F5N2O3 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](pentafluorophenyl)methanone, [4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO](2,3,4,5,6-PENTAFLUOROPHENYL)METHANONE, 4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl 2,3,4,5,6-pentafluorophe nyl ketone
| Molecular Formula | C19H15F5N2O3 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 3.0688 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.10028 |
| Heavy Atoms | 29 |
| Complexity | 947.7975 |
Chemical Identifiers
| CAS Number | 546099-49-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=C(C(=C4F)F)F)F)F |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine (CAS 546099-49-4), with molecular formula C19H15F5N2O3 and molecular weight 414.10 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine
The XLogP value of 3.0688 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine 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-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine is 546099-49-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine is C19H15F5N2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine is 414.10 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.