![Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate structure](/static/products/5164/516458-47-2.webp)
Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate
TL;DR: Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate (CAS 516458-47-2) is a chemical compound with molecular formula C17H23N3O4S and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-((4-(2-methoxy-2-oxoethyl)phenyl)carbamothioyl)piperazine-1-carboxylate, ethyl 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperazine-1-carboxylate, ethyl 4-{[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl}piperazine-1-carboxylate, methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate, ETHYL 4-{[4-(2-METHOXY-2-OXOETHYL)ANILINO]CARBOTHIOYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C17H23N3O4S |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 1.873 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.14093 |
| Heavy Atoms | 25 |
| Complexity | 612.8239 |
Chemical Identifiers
| CAS Number | 516458-47-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC |
Product Overview
Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate (CAS 516458-47-2), with molecular formula C17H23N3O4S and molecular weight 365.14 g/mol. IUPAC: ethyl 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate
Property Insights of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate
The XLogP value of 1.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate 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 Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
The CAS number of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate is 516458-47-2.
What is the molecular formula of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
The molecular formula of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate is C17H23N3O4S.
What is the molecular weight of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
The molecular weight of Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate is 365.14 g/mol.
Where can I buy Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
You can request a quote for Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-({[4-(ethoxycarbonyl)piperazinyl]thioxomethyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.