![Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate structure](/static/products/1022/1022235-03-5.webp)
Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate
TL;DR: Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate (CAS 1022235-03-5) is a chemical compound with molecular formula C16H22FN3O2S and molecular weight 339.14166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]propanoate
Also Known As: ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate, Ethyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]propanoate, ethyl 3-({[4-(2-fluorophenyl)piperazino]carbothioyl}amino)propanoate, ethyl 3-((4-(2-fluorophenyl)piperazino)carbothioylamino)propanoate, Ethyl 3-({4-(2-fluorophenyl)piperazinocarbothioyl}amino)propanoate
Technical Specifications
| Molecular Formula | C16H22FN3O2S |
| Molecular Weight | 339.14166 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.14166 Da |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
| SMILES | CCOC(=O)CCNC(=S)N1CCN(CC1)C2=CC=CC=C2F |
| InChIKey | NACNAJPTEOYCPV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate
Property Insights of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate. Following Lipinski's Rule of Five, Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate 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
What is the CAS number of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate?
The CAS number of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate is 1022235-03-5.
What is the molecular formula of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate?
The molecular formula of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate is C16H22FN3O2S.
What is the molecular weight of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate?
The molecular weight of Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate is 339.14166 g/mol.
Where can I buy Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate?
You can request a quote for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.