4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile
TL;DR: 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile (CAS 497060-96-5) is a chemical compound with molecular formula C17H17N5S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: starbld0014093, 4-(((4-(2-PYRIDYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZENECARBONITRILE, N-(4-cyanophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide, N-(4-cyanophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide, AO-990/15068210
| Molecular Formula | C17H17N5S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.47228 |
| Topological Polar Surface Area | 55.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.12045 |
| Heavy Atoms | 23 |
| Complexity | 700.0136 |
Chemical Identifiers
| CAS Number | 497060-96-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)C#N |
Product Overview
4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile (CAS 497060-96-5), with molecular formula C17H17N5S and molecular weight 323.12 g/mol. IUPAC: N-(4-cyanophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile
Property Insights of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile
The XLogP value of 2.47228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile. With a topological polar surface area (TPSA) of 55.19 Ų, 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile has 1 hydrogen bond donor(s) and 4 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-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile?
The CAS number of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile is 497060-96-5.
What is the molecular formula of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile?
The molecular formula of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile is C17H17N5S.
What is the molecular weight of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile?
The molecular weight of 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile is 323.12 g/mol.
Where can I buy 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile?
You can request a quote for 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile 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-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-(2-Pyridyl)piperazinyl)thioxomethyl)amino)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.