N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
TL;DR: N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide (CAS 838875-05-1) is a chemical compound with molecular formula C17H17F2N3OS and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
Also Known As: N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide, 2-(4-{[(3,5-difluorophenyl)amino]thioxomethyl}piperazinyl)phenol, N-(3,5-DIFLUOROPHENYL)-4-(2-HYDROXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C17H17F2N3OS |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 3.1894 |
| Topological Polar Surface Area | 38.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.10605 |
| Heavy Atoms | 24 |
| Complexity | 728.11554 |
Chemical Identifiers
| CAS Number | 838875-05-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2O)C(=S)NC3=CC(=CC(=C3)F)F |
Product Overview
N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide (CAS 838875-05-1), with molecular formula C17H17F2N3OS and molecular weight 349.11 g/mol. IUPAC: N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
Property Insights of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
The XLogP value of 3.1894 indicates that N-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The CAS number of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is 838875-05-1.
What is the molecular formula of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The molecular formula of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is C17H17F2N3OS.
What is the molecular weight of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
The molecular weight of N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide is 349.11 g/mol.
Where can I buy N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
You can request a quote for N-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.