![N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/4474/447431-85-8.webp)
N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 447431-85-8) is a chemical compound with molecular formula C18H16ClF4N3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, A2576/0109914, N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
| Molecular Formula | C18H16ClF4N3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 5.0169 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.06897 |
| Heavy Atoms | 27 |
| Complexity | 835.59674 |
Chemical Identifiers
| CAS Number | 447431-85-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC(=C(C=C3)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 447431-85-8), with molecular formula C18H16ClF4N3S and molecular weight 417.07 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 5.0169 indicates that N-(3-chloro-4-fluorophenyl)-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 18.51 Ų, N-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 447431-85-8.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C18H16ClF4N3S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 417.07 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.