![N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/3133/313380-96-0.webp)
N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 313380-96-0) is a chemical compound with molecular formula C18H18F3N3S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: TimTec1_004548, BAS 00867580, N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, AB00094285-01, A1703/0072561
| Molecular Formula | C18H18F3N3S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 4.2244 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.11734 |
| Heavy Atoms | 25 |
| Complexity | 725.8462 |
Chemical Identifiers
| CAS Number | 313380-96-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=CC=C3 |
Product Overview
N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 313380-96-0), with molecular formula C18H18F3N3S and molecular weight 365.12 g/mol. IUPAC: N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 4.2244 indicates that N-phenyl-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-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-4-[3-(trifluoromethyl)phenyl]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-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 313380-96-0.
What is the molecular formula of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C18H18F3N3S.
What is the molecular weight of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 365.12 g/mol.
Where can I buy N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for N-phenyl-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-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.