N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
TL;DR: N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide (CAS 405067-66-5) is a chemical compound with molecular formula C17H17ClFN3S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
Also Known As: N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide, N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide, N~1~-(3-CHLOROPHENYL)-4-(4-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C17H17ClFN3S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 3.9981 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.08157 |
| Heavy Atoms | 23 |
| Complexity | 684.49274 |
Chemical Identifiers
| CAS Number | 405067-66-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=CC(=CC=C3)Cl |
Product Overview
N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide (CAS 405067-66-5), with molecular formula C17H17ClFN3S and molecular weight 349.08 g/mol. IUPAC: N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
Property Insights of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 3.9981 indicates that N-(3-chlorophenyl)-4-(4-fluorophenyl)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, N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-4-(4-fluorophenyl)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 N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is 405067-66-5.
What is the molecular formula of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is C17H17ClFN3S.
What is the molecular weight of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is 349.08 g/mol.
Where can I buy N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(3-chlorophenyl)-4-(4-fluorophenyl)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-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.