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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 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H22FN3O2S |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 1.7754 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.14166 |
| Heavy Atoms | 23 |
| Complexity | 547.88184 |
Chemical Identifiers
| CAS Number | 1022235-03-5 |
|---|---|
| SMILES | CCOC(=O)CCNC(=S)N1CCN(CC1)C2=CC=CC=C2F |
Product Overview
Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate (CAS 1022235-03-5), with molecular formula C16H22FN3O2S and molecular weight 339.14 g/mol. IUPAC: ethyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]propanoate.
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 1.7754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate. With a topological polar surface area (TPSA) of 44.81 Ų, Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate has 1 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 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 339.14 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}propanoate?
Yes, KEHONG BIO 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.