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Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate
TL;DR: Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate (CAS 693255-77-5) is a chemical compound with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]benzoate
Also Known As: Ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]benzoate, ethyl 4-(4-(pyridin-2-yl)piperazine-1-carbothioamido)benzoate, ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate, ETHYL 4-({[4-(2-PYRIDYL)PIPERAZINO]CARBOTHIOYL}AMINO)BENZOATE, ethyl 4-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)benzoate
| Molecular Formula | C19H22N4O2S |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 2.7773 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.14636 |
| Heavy Atoms | 26 |
| Complexity | 743.8942 |
Chemical Identifiers
| CAS Number | 693255-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 |
Product Overview
Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate (CAS 693255-77-5), with molecular formula C19H22N4O2S and molecular weight 370.15 g/mol. IUPAC: ethyl 4-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate
Property Insights of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate
The XLogP value of 2.7773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate. With a topological polar surface area (TPSA) of 57.7 Ų, Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(4-(2-pyridyl)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-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate?
The CAS number of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate is 693255-77-5.
What is the molecular formula of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate is C19H22N4O2S.
What is the molecular weight of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate is 370.15 g/mol.
Where can I buy Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(4-(2-pyridyl)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-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.