![N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/7012/701289-75-0.webp)
N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 701289-75-0) is a chemical compound with molecular formula C18H16BrClF3N3S and molecular weight 476.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, [(4-bromo-2-chlorophenyl)amino]{4-[3-(trifluoromethyl)phenyl]piperazinyl}metha ne-1-thione
| Molecular Formula | C18H16BrClF3N3S |
|---|---|
| Molecular Weight | 476.99 g/mol |
| LogP | 5.6403 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.9889 |
| Heavy Atoms | 27 |
| Complexity | 838.84186 |
Chemical Identifiers
| CAS Number | 701289-75-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=C(C=C(C=C3)Br)Cl |
Product Overview
N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 701289-75-0), with molecular formula C18H16BrClF3N3S and molecular weight 476.99 g/mol. IUPAC: N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 5.6403 indicates that N-(4-bromo-2-chlorophenyl)-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-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2-chlorophenyl)-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-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 701289-75-0.
What is the molecular formula of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C18H16BrClF3N3S.
What is the molecular weight of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 476.99 g/mol.
Where can I buy N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for N-(4-bromo-2-chlorophenyl)-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-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.