N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide
TL;DR: N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide (CAS 454448-45-4) is a chemical compound with molecular formula C17H17F2N3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide
Also Known As: N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide, F1540-0020, [(2-fluorophenyl)amino][4-(2-fluorophenyl)piperazinyl]methane-1-thione
| Molecular Formula | C17H17F2N3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.4838 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1111 |
| Heavy Atoms | 23 |
| Complexity | 699.74274 |
Chemical Identifiers
| CAS Number | 454448-45-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC=CC=C3F |
Product Overview
N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide (CAS 454448-45-4), with molecular formula C17H17F2N3S and molecular weight 333.11 g/mol. IUPAC: N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide
Property Insights of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 3.4838 indicates that N,4-bis(2-fluorophenyl)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-bis(2-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,4-bis(2-fluorophenyl)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,4-bis(2-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide is 454448-45-4.
What is the molecular formula of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide is C17H17F2N3S.
What is the molecular weight of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide is 333.11 g/mol.
Where can I buy N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for N,4-bis(2-fluorophenyl)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-bis(2-fluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N,4-bis(2-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.