1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate
TL;DR: 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate (CAS 101477-46-7) is a chemical compound with molecular formula C30H33FN2O6 and molecular weight 536.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)-phenylmethyl]piperazine
Also Known As: 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate, Piperazine, 1-((2,4-dimethoxyphenyl)methyl)-4-((4-fluorophenyl)phenylmethyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C30H33FN2O6 |
|---|---|
| Molecular Weight | 536.23 g/mol |
| LogP | 4.4619 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.23224 |
| Heavy Atoms | 39 |
| Complexity | 1226.0671 |
Chemical Identifiers
| CAS Number | 101477-46-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)F)OC.C(=CC(=O)O)C(=O)O |
Product Overview
1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate (CAS 101477-46-7), with molecular formula C30H33FN2O6 and molecular weight 536.23 g/mol. IUPAC: but-2-enedioic acid;1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)-phenylmethyl]piperazine.
Chemical Property Profile of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate
Property Insights of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate
The XLogP value of 4.4619 indicates that 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate. Following Lipinski's Rule of Five, 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate?
The CAS number of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate is 101477-46-7.
What is the molecular formula of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate?
The molecular formula of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate is C30H33FN2O6.
What is the molecular weight of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate?
The molecular weight of 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate is 536.23 g/mol.
Where can I buy 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate?
You can request a quote for 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.