Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate (CAS 333441-40-0) is a chemical compound with molecular formula C15H19ClN2O3S and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-chlorophenyl)sulfanylacetyl]piperazine-1-carboxylate
Also Known As: BAS 01932705, ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate, ETHYL 4-{2-[(4-CHLOROPHENYL)SULFANYL]ACETYL}PIPERAZINE-1-CARBOXYLATE, ethyl 4-[2-(p-chlorophenylthio)acetyl]-1-piperazinecarboxylate, ethyl 4-[2-(4-chlorophenyl)sulfanylacetyl]piperazine-1-carboxylate
| Molecular Formula | C15H19ClN2O3S |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 2.7328 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0805 |
| Heavy Atoms | 22 |
| Complexity | 516.0238 |
Chemical Identifiers
| CAS Number | 333441-40-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl |
Product Overview
Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate (CAS 333441-40-0), with molecular formula C15H19ClN2O3S and molecular weight 342.08 g/mol. IUPAC: ethyl 4-[2-(4-chlorophenyl)sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate
The XLogP value of 2.7328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate has 0 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-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate is 333441-40-0.
What is the molecular formula of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate is C15H19ClN2O3S.
What is the molecular weight of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate is 342.08 g/mol.
Where can I buy Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-((4-chlorophenyl)thio)acetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.