N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
TL;DR: N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide (CAS 454668-83-8) is a chemical compound with molecular formula C17H18FN3OS and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
Also Known As: N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide, 2-(4-{[(2-fluorophenyl)amino]thioxomethyl}piperazinyl)phenol
| Molecular Formula | C17H18FN3OS |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.0503 |
| Topological Polar Surface Area | 38.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.11545 |
| Heavy Atoms | 23 |
| Complexity | 701.74274 |
Chemical Identifiers
| CAS Number | 454668-83-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2O)C(=S)NC3=CC=CC=C3F |
Product Overview
N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide (CAS 454668-83-8), with molecular formula C17H18FN3OS and molecular weight 331.12 g/mol. IUPAC: N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
Property Insights of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
The XLogP value of 3.0503 indicates that N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.74 Ų, N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide has 2 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-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The CAS number of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is 454668-83-8.
What is the molecular formula of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The molecular formula of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is C17H18FN3OS.
What is the molecular weight of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The molecular weight of N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is 331.12 g/mol.
Where can I buy N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
You can request a quote for N-(2-fluorophenyl)-4-(2-hydroxyphenyl)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-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.