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N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
TL;DR: N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide (CAS 708294-50-2) is a chemical compound with molecular formula C14H20FN3S and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
Also Known As: N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide, N-ethyl-4-(4-fluorobenzyl)piperazine-1-carbothioamide, (ethylamino){4-[(4-fluorophenyl)methyl]piperazinyl}methane-1-thione, N-ETHYL-4-(4-FLUOROBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C14H20FN3S |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 1.8377 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1362 |
| Heavy Atoms | 19 |
| Complexity | 413.2042 |
Chemical Identifiers
| CAS Number | 708294-50-2 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)CC2=CC=C(C=C2)F |
Product Overview
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide (CAS 708294-50-2), with molecular formula C14H20FN3S and molecular weight 281.14 g/mol. IUPAC: N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
Property Insights of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
The XLogP value of 1.8377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-4-[(4-fluorophenyl)methyl]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 N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide?
The CAS number of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide is 708294-50-2.
What is the molecular formula of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide?
The molecular formula of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide is C14H20FN3S.
What is the molecular weight of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide?
The molecular weight of N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide is 281.14 g/mol.
Where can I buy N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide?
You can request a quote for N-ethyl-4-[(4-fluorophenyl)methyl]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 N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.