![2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile structure](/static/products/848/848767-72-6.png)
2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile
TL;DR: 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile (CAS 848767-72-6) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
Also Known As: VU0604861-1, 2-(3-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile, 2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile, 2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)-2-(m-tolylsulfonyl)acetonitrile, 2-(3-METHYLBENZENESULFONYL)-2-[3-(PYRROLIDIN-1-YL)QUINOXALIN-2-YL]ACETONITRILE
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 848767-72-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4 |
| InChIKey | GDJMDNKIUMOLIR-UHFFFAOYSA-N |
Product Overview
2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile (CAS 848767-72-6), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 2-(3-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile.
Chemical Property Profile of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile
Property Insights of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile
The XLogP value of 3.3 indicates that 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile. Following Lipinski's Rule of Five, 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile 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 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile?
The CAS number of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile is 848767-72-6.
What is the molecular formula of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile?
The molecular formula of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile is C21H20N4O2S.
What is the molecular weight of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile?
The molecular weight of 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile is 392.13 g/mol.
Where can I buy 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile?
You can request a quote for 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.