![N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide structure](/static/products/1024/1024492-48-5.webp)
N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide
TL;DR: N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide (CAS 1024492-48-5) is a chemical compound with molecular formula C18H16F6N4OS and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
Also Known As: N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide, ((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)(4-(5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)METHANE-1-THIONE, N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide, C18H16F6N4OS
| Molecular Formula | C18H16F6N4OS |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 4.518 |
| Topological Polar Surface Area | 40.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.0949 |
| Heavy Atoms | 30 |
| Complexity | 862.2307 |
Chemical Identifiers
| CAS Number | 1024492-48-5 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide (CAS 1024492-48-5), with molecular formula C18H16F6N4OS and molecular weight 450.09 g/mol. IUPAC: N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide
Property Insights of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide
The XLogP value of 4.518 indicates that N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.63 Ų, N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide?
The CAS number of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide is 1024492-48-5.
What is the molecular formula of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide?
The molecular formula of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide is C18H16F6N4OS.
What is the molecular weight of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide?
The molecular weight of N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide is 450.09 g/mol.
Where can I buy N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide?
You can request a quote for N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]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-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.