4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
TL;DR: 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide (CAS 708283-63-0) is a chemical compound with molecular formula C18H19ClFN3S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
Also Known As: 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide, 4-benzyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide, [(3-chloro-4-fluorophenyl)amino][4-benzylpiperazinyl]methane-1-thione, 4-BENZYL-N-(3-CHLORO-4-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C18H19ClFN3S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 3.9937 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.09723 |
| Heavy Atoms | 24 |
| Complexity | 702.665 |
Chemical Identifiers
| CAS Number | 708283-63-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl |
Product Overview
4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide (CAS 708283-63-0), with molecular formula C18H19ClFN3S and molecular weight 363.10 g/mol. IUPAC: 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
Property Insights of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 3.9937 indicates that 4-benzyl-N-(3-chloro-4-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, 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-(3-chloro-4-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 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide is 708283-63-0.
What is the molecular formula of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide is C18H19ClFN3S.
What is the molecular weight of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide is 363.10 g/mol.
Where can I buy 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-benzyl-N-(3-chloro-4-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 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.