4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
TL;DR: 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide (CAS 838894-64-7) is a chemical compound with molecular formula C17H16ClF2N3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
Also Known As: 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide, [(3,5-difluorophenyl)amino][4-(3-chlorophenyl)piperazinyl]methane-1-thione, 4-(3-CHLOROPHENYL)-N-(3,5-DIFLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C17H16ClF2N3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 4.1372 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.07214 |
| Heavy Atoms | 24 |
| Complexity | 728.11554 |
Chemical Identifiers
| CAS Number | 838894-64-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC(=CC(=C3)F)F |
Product Overview
4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide (CAS 838894-64-7), with molecular formula C17H16ClF2N3S and molecular weight 367.07 g/mol. IUPAC: 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
Property Insights of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
The XLogP value of 4.1372 indicates that 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide?
The CAS number of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide is 838894-64-7.
What is the molecular formula of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide is C17H16ClF2N3S.
What is the molecular weight of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide is 367.07 g/mol.
Where can I buy 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)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 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorophenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.