4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile
TL;DR: 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile (CAS 256417-35-3) is a chemical compound with molecular formula C15H15N5O2S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile
Also Known As: 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile, 4-[(4-pyrimidin-2-ylpiperazino)sulfonyl]benzonitrile, 4-[4-(Pyrimidin-2-yl)piperazine-1-sulfonyl]benzonitrile
| Molecular Formula | C15H15N5O2S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 0.85918 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.09464 |
| Heavy Atoms | 23 |
| Complexity | 807.1958 |
Chemical Identifiers
| CAS Number | 256417-35-3 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C#N |
Product Overview
4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile (CAS 256417-35-3), with molecular formula C15H15N5O2S and molecular weight 329.09 g/mol. IUPAC: 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile.
Chemical Property Profile of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile
Property Insights of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile
The XLogP value of 0.85918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile. Following Lipinski's Rule of Five, 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile has 0 hydrogen bond donor(s) and 6 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-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile?
The CAS number of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile is 256417-35-3.
What is the molecular formula of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile?
The molecular formula of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile is C15H15N5O2S.
What is the molecular weight of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile?
The molecular weight of 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile is 329.09 g/mol.
Where can I buy 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile?
You can request a quote for 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.