![4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/1040/104017-60-9.webp)
4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 104017-60-9) is a chemical compound with molecular formula C20H19F6N3S and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide, ((3,5-BIS(TRIFLUOROMETHYL)PHENYL)AMINO)(4-BENZYLPIPERAZINYL)METHANE-1-THIONE, 1-Piperazinecarbothioamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-(phenylmethyl)-, C20H19F6N3S
| Molecular Formula | C20H19F6N3S |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 5.2388 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.1204 |
| Heavy Atoms | 30 |
| Complexity | 842.09595 |
Chemical Identifiers
| CAS Number | 104017-60-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 104017-60-9), with molecular formula C20H19F6N3S and molecular weight 447.12 g/mol. IUPAC: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 5.2388 indicates that 4-benzyl-N-[3,5-bis(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, 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-[3,5-bis(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 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 104017-60-9.
What is the molecular formula of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C20H19F6N3S.
What is the molecular weight of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 447.12 g/mol.
Where can I buy 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-benzyl-N-[3,5-bis(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 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.