![N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide structure](/static/products/2556/25561-80-2.webp)
N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide
TL;DR: N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide (CAS 25561-80-2) is a chemical compound with molecular formula C18H18FN3OS and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide
Also Known As: N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide, N-{[4-(4-fluorophenyl)piperazinyl]thioxomethyl}benzamide, AE-641/15338042, N-(4-(4-fluorophenyl)piperazine-1-carbonothioyl)benzamide, N-{[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl}benzamide
| Molecular Formula | C18H18FN3OS |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.11545 |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 25561-80-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC(=O)C3=CC=CC=C3 |
| InChIKey | AAKXZYTWHMGZAU-UHFFFAOYSA-N |
Product Overview
N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide (CAS 25561-80-2), with molecular formula C18H18FN3OS and molecular weight 343.12 g/mol. IUPAC: N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide.
Chemical Property Profile of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide
Property Insights of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide
The XLogP value of 3.3 indicates that N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide. Following Lipinski's Rule of Five, N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide 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-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide?
The CAS number of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide is 25561-80-2.
What is the molecular formula of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide?
The molecular formula of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide is C18H18FN3OS.
What is the molecular weight of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide?
The molecular weight of N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide is 343.12 g/mol.
Where can I buy N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide?
You can request a quote for N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.