![Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate structure](/static/products/3308/330865-90-2.webp)
Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate (CAS 330865-90-2) is a chemical compound with molecular formula C14H18FN3O2S and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate, ethyl 4-((4-fluorophenyl)carbamothioyl)piperazine-1-carboxylate, ethyl 4-{[(4-fluorophenyl)amino]thioxomethyl}piperazinecarboxylate
| Molecular Formula | C14H18FN3O2S |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11038 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 330865-90-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)F |
| InChIKey | KWSYDILHRPVKIQ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate (CAS 330865-90-2), with molecular formula C14H18FN3O2S and molecular weight 311.11 g/mol. IUPAC: ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate 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 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate is 330865-90-2.
What is the molecular formula of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate is C14H18FN3O2S.
What is the molecular weight of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate is 311.11 g/mol.
Where can I buy Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(4-fluorophenyl)carbamothioyl]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-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.