![4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile structure](/static/products/4780/478046-94-5.webp)
4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile
TL;DR: 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile (CAS 478046-94-5) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile
Also Known As: 4-{4-[(4-methylphenyl)sulfonyl]piperazino}benzenecarbonitrile, 4-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]benzonitrile, 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile, 4R-0314, 4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzonitrile
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.3776 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 844.632 |
Chemical Identifiers
| CAS Number | 478046-94-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N |
Product Overview
4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile (CAS 478046-94-5), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile.
Chemical Property Profile of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile
Property Insights of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile
The XLogP value of 2.3776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile. Following Lipinski's Rule of Five, 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile has 0 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-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile?
The CAS number of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile is 478046-94-5.
What is the molecular formula of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile?
The molecular formula of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile is C18H19N3O2S.
What is the molecular weight of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile?
The molecular weight of 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile is 341.12 g/mol.
Where can I buy 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile?
You can request a quote for 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}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-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(4-Methylphenyl)sulfonyl]piperazino}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.