2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile
TL;DR: 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile (CAS 797797-99-0) is a chemical compound with molecular formula C29H28N4O2S and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile
Also Known As: 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile, [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl][(4-methylphenyl)sulfonyl]acetonitrile, 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile
| Molecular Formula | C29H28N4O2S |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 5.4359 |
| Topological Polar Surface Area | 86.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.1933 |
| Heavy Atoms | 36 |
| Complexity | 1504.9595 |
Chemical Identifiers
| CAS Number | 797797-99-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile (CAS 797797-99-0), with molecular formula C29H28N4O2S and molecular weight 496.19 g/mol. IUPAC: 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile
Property Insights of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile
The XLogP value of 5.4359 indicates that 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile. Following Lipinski's Rule of Five, 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
The CAS number of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is 797797-99-0.
What is the molecular formula of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
The molecular formula of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is C29H28N4O2S.
What is the molecular weight of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
The molecular weight of 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is 496.19 g/mol.
Where can I buy 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
You can request a quote for 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.