![Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate structure](/static/products/4754/475423-40-6.webp)
Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate
TL;DR: Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate (CAS 475423-40-6) is a chemical compound with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate
Also Known As: ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate, ethyl 4-(4-(pyrimidin-2-yl)piperazine-1-carbothioamido)benzoate, ethyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate, ETHYL 4-({[4-(2-PYRIMIDINYL)PIPERAZINO]CARBOTHIOYL}AMINO)BENZOATE, ethyl 4-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)benzoate
| Molecular Formula | C18H21N5O2S |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 2.1723 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.1416 |
| Heavy Atoms | 26 |
| Complexity | 745.9366 |
Chemical Identifiers
| CAS Number | 475423-40-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate (CAS 475423-40-6), with molecular formula C18H21N5O2S and molecular weight 371.14 g/mol. IUPAC: ethyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate
Property Insights of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate
The XLogP value of 2.1723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate?
The CAS number of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate is 475423-40-6.
What is the molecular formula of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate is C18H21N5O2S.
What is the molecular weight of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate is 371.14 g/mol.
Where can I buy Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)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-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.