2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile
TL;DR: 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile (CAS 612044-23-2) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylpiperazin-1-yl)sulfonylbenzonitrile
Also Known As: 2-(4-phenylpiperazin-1-yl)sulfonylbenzonitrile, 2-[(4-phenylpiperazin-1-yl)sulfonyl]benzonitrile, 2-[(4-phenylpiperazino)sulfonyl]benzonitrile, 2-[(4-phenyl-1-piperazinyl)sulfonyl]benzonitrile, AO-080/41610574
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 612044-23-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N |
| InChIKey | MFWNJBHSHLEMPH-UHFFFAOYSA-N |
Product Overview
2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile (CAS 612044-23-2), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 2-(4-phenylpiperazin-1-yl)sulfonylbenzonitrile.
Chemical Property Profile of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile
Property Insights of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile. Following Lipinski's Rule of Five, 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile has 0 hydrogen bond donor(s) and 5 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 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile?
The CAS number of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile is 612044-23-2.
What is the molecular formula of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile?
The molecular formula of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile is C17H17N3O2S.
What is the molecular weight of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile?
The molecular weight of 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile is 327.10 g/mol.
Where can I buy 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile?
You can request a quote for 2-(4-Phenylpiperazin-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 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Phenylpiperazin-1-yl)sulfonylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.