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Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate
TL;DR: Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate (CAS 516459-50-0) is a chemical compound with molecular formula C15H19FN2O2S and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate
Also Known As: VU0048351-3, ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate, ethyl 1-((4-fluorophenyl)carbamothioyl)piperidine-3-carboxylate, ETHYL 1-[(4-FLUOROANILINO)CARBOTHIOYL]-3-PIPERIDINECARBOXYLATE, ethyl 1-{[(4-fluorophenyl)amino]carbonothioyl}-3-piperidinecarboxylate
| Molecular Formula | C15H19FN2O2S |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.7976 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.1151 |
| Heavy Atoms | 21 |
| Complexity | 506.90002 |
Chemical Identifiers
| CAS Number | 516459-50-0 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)F |
Product Overview
Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate (CAS 516459-50-0), with molecular formula C15H19FN2O2S and molecular weight 310.12 g/mol. IUPAC: ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate
Property Insights of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate
The XLogP value of 2.7976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-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 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate?
The CAS number of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate is 516459-50-0.
What is the molecular formula of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate?
The molecular formula of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate is C15H19FN2O2S.
What is the molecular weight of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate?
The molecular weight of Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate is 310.12 g/mol.
Where can I buy Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate?
You can request a quote for Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.