1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine
TL;DR: 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine (CAS 462098-06-2) is a chemical compound with molecular formula C20H23FN2O and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
Also Known As: BAS 01375968, 1-(4-ethylbenzyl)-4-(3-fluorobenzoyl)piperazine, AT-057/43316758, [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone, [4-(4-ethylbenzyl)piperazin-1-yl](3-fluorophenyl)methanone
| Molecular Formula | C20H23FN2O |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.17944 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 462098-06-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F |
| InChIKey | MONHGETZKBGWPA-UHFFFAOYSA-N |
Product Overview
1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine (CAS 462098-06-2), with molecular formula C20H23FN2O and molecular weight 326.18 g/mol. IUPAC: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine
Property Insights of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine
The XLogP value of 3.6 indicates that 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine has 0 hydrogen bond donor(s) and 3 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-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine?
The CAS number of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine is 462098-06-2.
What is the molecular formula of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine?
The molecular formula of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine is C20H23FN2O.
What is the molecular weight of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine?
The molecular weight of 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine is 326.18 g/mol.
Where can I buy 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine?
You can request a quote for 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethylbenzyl)-4-(3-fluorobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.