((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione
TL;DR: ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione (CAS 431886-32-7) is a chemical compound with molecular formula C16H17ClN4S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(4-chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide, ((4-CHLOROPHENYL)AMINO)(4-(2-PYRIDYL)PIPERAZINYL)METHANE-1-THIONE, N-(4-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide, AB00007376-01, AB00007376-02
| Molecular Formula | C16H17ClN4S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 3.254 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.08624 |
| Heavy Atoms | 22 |
| Complexity | 624.3539 |
Chemical Identifiers
| CAS Number | 431886-32-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)Cl |
Product Overview
((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione (CAS 431886-32-7), with molecular formula C16H17ClN4S and molecular weight 332.09 g/mol. IUPAC: N-(4-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione
Property Insights of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione
The XLogP value of 3.254 indicates that ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione 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-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
The CAS number of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione is 431886-32-7.
What is the molecular formula of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
The molecular formula of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione is C16H17ClN4S.
What is the molecular weight of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
The molecular weight of ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione is 332.09 g/mol.
Where can I buy ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
You can request a quote for ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for ((4-Chlorophenyl)amino)(4-(2-pyridyl)piperazinyl)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.