![(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile structure](/static/products/844/844457-08-5.png)
(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile
TL;DR: (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile (CAS 844457-08-5) is a chemical compound with molecular formula C28H25N5O2S and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-2-[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]acetonitrile
Also Known As: (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile, (E)-2-(phenylsulfonyl)-2-(3-(4-styrylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile, 2-(benzenesulfonyl)-2-[3-[4-(2-phenylethenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile, 2-(benzenesulfonyl)-2-[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]acetonitrile
| Molecular Formula | C28H25N5O2S |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 4.46128 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.17288 |
| Heavy Atoms | 36 |
| Complexity | 1525.0217 |
Chemical Identifiers
| CAS Number | 844457-08-5 |
|---|---|
| SMILES | C1CN(CCN1/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5 |
Product Overview
(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile (CAS 844457-08-5), with molecular formula C28H25N5O2S and molecular weight 495.17 g/mol. IUPAC: 2-(benzenesulfonyl)-2-[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile
Property Insights of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile
The XLogP value of 4.46128 indicates that (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile has 0 hydrogen bond donor(s) and 7 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 (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
The CAS number of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile is 844457-08-5.
What is the molecular formula of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
The molecular formula of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile is C28H25N5O2S.
What is the molecular weight of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
The molecular weight of (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile is 495.17 g/mol.
Where can I buy (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
You can request a quote for (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)(phenylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.