![Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate structure](/static/products/6906/690684-87-8.webp)
Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate (CAS 690684-87-8) 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-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate, ethyl 4-((3-fluorophenyl)carbamothioyl)piperazine-1-carboxylate
| Molecular Formula | C14H18FN3O2S |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 2.2966 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.11038 |
| Heavy Atoms | 21 |
| Complexity | 518.6955 |
Chemical Identifiers
| CAS Number | 690684-87-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC=C2)F |
Product Overview
Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate (CAS 690684-87-8), with molecular formula C14H18FN3O2S and molecular weight 311.11 g/mol. IUPAC: ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 2.2966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 44.81 Ų, Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 3 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-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate is 690684-87-8.
What is the molecular formula of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate is C14H18FN3O2S.
What is the molecular weight of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate is 311.11 g/mol.
Where can I buy Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(3-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-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.