![Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate structure](/static/products/6420/642000-12-2.webp)
Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate
TL;DR: Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate (CAS 642000-12-2) is a chemical compound with molecular formula C17H24N2O3S and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(3-(p-tolylthio)propanoyl)piperazine-1-carboxylate, ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate, ethyl 4-{3-[(4-methylphenyl)thio]propanoyl}-1-piperazinecarboxylate, ethyl 4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazine-1-carboxylate
| Molecular Formula | C17H24N2O3S |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 2.77792 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.15076 |
| Heavy Atoms | 23 |
| Complexity | 525.14496 |
Chemical Identifiers
| CAS Number | 642000-12-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)C |
Product Overview
Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate (CAS 642000-12-2), with molecular formula C17H24N2O3S and molecular weight 336.15 g/mol. IUPAC: ethyl 4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate
Property Insights of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate
The XLogP value of 2.77792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}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-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate?
The CAS number of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate is 642000-12-2.
What is the molecular formula of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate?
The molecular formula of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate is C17H24N2O3S.
What is the molecular weight of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate?
The molecular weight of Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate is 336.15 g/mol.
Where can I buy Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate?
You can request a quote for Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}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-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.