![4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate structure](/static/products/6945/694507-03-4.webp)
4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate
TL;DR: 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate (CAS 694507-03-4) is a chemical compound with molecular formula C17H17FN2OS and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-fluorophenyl)piperazin-1-yl]-(4-hydroxyphenyl)methanethione
Also Known As: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate, (4-(2-fluorophenyl)piperazin-1-yl)(4-hydroxyphenyl)methanethione, 4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C17H17FN2OS |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 3.029 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.10455 |
| Heavy Atoms | 22 |
| Complexity | 666.6141 |
Chemical Identifiers
| CAS Number | 694507-03-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2F)C(=S)C3=CC=C(C=C3)O |
Product Overview
4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate (CAS 694507-03-4), with molecular formula C17H17FN2OS and molecular weight 316.10 g/mol. IUPAC: [4-(2-fluorophenyl)piperazin-1-yl]-(4-hydroxyphenyl)methanethione.
Chemical Property Profile of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate
Property Insights of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate
The XLogP value of 3.029 indicates that 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate 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 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate?
The CAS number of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate is 694507-03-4.
What is the molecular formula of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate?
The molecular formula of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate is C17H17FN2OS.
What is the molecular weight of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate?
The molecular weight of 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate is 316.10 g/mol.
Where can I buy 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate?
You can request a quote for 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.