![N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/7082/708245-96-9.webp)
N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 708245-96-9) is a chemical compound with molecular formula C20H20F3N3OS and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, 1-acetyl-3-[(thioxo{4-[3-(trifluoromethyl)phenyl]piperazinyl}methyl)amino]benz ene
| Molecular Formula | C20H20F3N3OS |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 4.427 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.12793 |
| Heavy Atoms | 28 |
| Complexity | 876.9948 |
Chemical Identifiers
| CAS Number | 708245-96-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 708245-96-9), with molecular formula C20H20F3N3OS and molecular weight 407.13 g/mol. IUPAC: N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 4.427 indicates that N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide 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 N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 708245-96-9.
What is the molecular formula of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C20H20F3N3OS.
What is the molecular weight of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 407.13 g/mol.
Where can I buy N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]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-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.