1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine
TL;DR: 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine (CAS 428852-53-3) is a chemical compound with molecular formula C21H27FN2O2 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
Also Known As: BAS 01376564, 1-(3-ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine, 1-(3-Ethoxy-4-methoxy-benzyl)-4-(4-fluoro-benzyl)-piperazine, 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
| Molecular Formula | C21H27FN2O2 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 3.5508 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.20566 |
| Heavy Atoms | 26 |
| Complexity | 697.6573 |
Chemical Identifiers
| CAS Number | 428852-53-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=C(C=C3)F)OC |
Product Overview
1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine (CAS 428852-53-3), with molecular formula C21H27FN2O2 and molecular weight 358.21 g/mol. IUPAC: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.
Chemical Property Profile of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine
Property Insights of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine
The XLogP value of 3.5508 indicates that 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)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-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine?
The CAS number of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine is 428852-53-3.
What is the molecular formula of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine?
The molecular formula of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine is C21H27FN2O2.
What is the molecular weight of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine?
The molecular weight of 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine is 358.21 g/mol.
Where can I buy 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine?
You can request a quote for 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Ethoxy-4-methoxybenzyl)-4-(4-fluorobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.