(E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate
TL;DR: (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate (CAS 306989-40-2) is a chemical compound with molecular formula C20H22ClN3O2 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzoate
Also Known As: (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate, methyl 4-((E)-{[4-(4-chlorobenzyl)-1-piperazinyl]imino}methyl)benzoate, methyl 4-[(E)-{[4-(4-chlorobenzyl)piperazin-1-yl]imino}methyl]benzoate, Methyl 4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzoate, 4-{[(E)-4-(4-Chloro-benzyl)-piperazin-1-ylimino]-methyl}-benzoic acid methyl ester
| Molecular Formula | C20H22ClN3O2 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 3.2783 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.14005 |
| Heavy Atoms | 26 |
| Complexity | 751.6307 |
Chemical Identifiers
| CAS Number | 306989-40-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2CCN(CC2)CC3=CC=C(C=C3)Cl |
Product Overview
(E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate (CAS 306989-40-2), with molecular formula C20H22ClN3O2 and molecular weight 371.14 g/mol. IUPAC: methyl 4-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate
Property Insights of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate
The XLogP value of 3.2783 indicates that (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate has 0 hydrogen bond donor(s) and 5 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 (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate?
The CAS number of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate is 306989-40-2.
What is the molecular formula of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate?
The molecular formula of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate is C20H22ClN3O2.
What is the molecular weight of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate?
The molecular weight of (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate is 371.14 g/mol.
Where can I buy (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate?
You can request a quote for (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(((4-(4-chlorobenzyl)piperazin-1-yl)imino)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.