N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide
TL;DR: N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide (CAS 794583-01-0) is a chemical compound with molecular formula C18H20FN3O2S2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide
Also Known As: N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide, N-benzyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide
| Molecular Formula | C18H20FN3O2S2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 2.2067 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.09808 |
| Heavy Atoms | 26 |
| Complexity | 867.0148 |
Chemical Identifiers
| CAS Number | 794583-01-0 |
|---|---|
| SMILES | C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F |
Product Overview
N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide (CAS 794583-01-0), with molecular formula C18H20FN3O2S2 and molecular weight 393.10 g/mol. IUPAC: N-benzyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide.
Chemical Property Profile of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide
Property Insights of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide
The XLogP value of 2.2067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 52.65 Ų, N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide?
The CAS number of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide is 794583-01-0.
What is the molecular formula of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide?
The molecular formula of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide is C18H20FN3O2S2.
What is the molecular weight of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide?
The molecular weight of N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide is 393.10 g/mol.
Where can I buy N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide?
You can request a quote for N-benzyl-4-(3-fluorobenzenesulfonyl)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-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-(3-fluorobenzenesulfonyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.