![Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate structure](/static/products/4333/433325-95-2.webp)
Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate
TL;DR: Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate (CAS 433325-95-2) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate, ethyl 4-(4-(3-methoxyphenyl)piperazine-1-carbothioamido)benzoate, ethyl 4-({[4-(3-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzoate, ETHYL 4-({[4-(3-METHOXYPHENYL)PIPERAZINO]CARBOTHIOYL}AMINO)BENZOATE, ethyl 4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 3.3909 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 817.90045 |
Chemical Identifiers
| CAS Number | 433325-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC |
Product Overview
Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate (CAS 433325-95-2), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: ethyl 4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate
Property Insights of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate
The XLogP value of 3.3909 indicates that Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate has 1 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 Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate?
The CAS number of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate is 433325-95-2.
What is the molecular formula of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate?
The molecular formula of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate is C21H25N3O3S.
What is the molecular weight of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate?
The molecular weight of Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate is 399.16 g/mol.
Where can I buy Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate?
You can request a quote for Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}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-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.