4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide
TL;DR: 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide (CAS 690688-59-6) is a chemical compound with molecular formula C13H18FN3S and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide
Also Known As: 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide
| Molecular Formula | C13H18FN3S |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.12054 |
| Heavy Atoms | 18 |
| Complexity | 416.4523 |
Chemical Identifiers
| CAS Number | 690688-59-6 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)NC2=CC(=CC=C2)F |
Product Overview
4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide (CAS 690688-59-6), with molecular formula C13H18FN3S and molecular weight 267.12 g/mol. IUPAC: 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide
Property Insights of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide is 690688-59-6.
What is the molecular formula of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide is C13H18FN3S.
What is the molecular weight of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide is 267.12 g/mol.
Where can I buy 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-N-(3-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.