![Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate structure](/static/products/7019/701924-29-0.webp)
Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate
TL;DR: Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate (CAS 701924-29-0) is a chemical compound with molecular formula C21H23Cl2N3O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate
Also Known As: ethyl 4-(4-(3,4-dichlorobenzyl)piperazine-1-carbothioamido)benzoate, Ethyl 4-[[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate, ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate, ethyl 4-[({4-[(3,4-dichlorophenyl)methyl]piperazinyl}thioxomethyl)amino]benzoa te
| Molecular Formula | C21H23Cl2N3O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.6847 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0888 |
| Heavy Atoms | 29 |
| Complexity | 868.73 |
Chemical Identifiers
| CAS Number | 701924-29-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate (CAS 701924-29-0), with molecular formula C21H23Cl2N3O2S and molecular weight 451.09 g/mol. IUPAC: ethyl 4-[[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Property Insights of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate
The XLogP value of 4.6847 indicates that Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate has 1 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 Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate is 701924-29-0.
What is the molecular formula of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate is C21H23Cl2N3O2S.
What is the molecular weight of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate is 451.09 g/mol.
Where can I buy Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.