![Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate structure](/static/products/840/840495-46-7.png)
Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate
TL;DR: Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate (CAS 840495-46-7) is a chemical compound with molecular formula C22H20N4O2 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
Also Known As: benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate, benzyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate, benzyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
| Molecular Formula | C22H20N4O2 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.58058 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.15863 |
| Heavy Atoms | 28 |
| Complexity | 1023.6362 |
Chemical Identifiers
| CAS Number | 840495-46-7 |
|---|---|
| SMILES | C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC4=CC=CC=C4 |
Product Overview
Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate (CAS 840495-46-7), with molecular formula C22H20N4O2 and molecular weight 372.16 g/mol. IUPAC: benzyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate.
Chemical Property Profile of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate
Property Insights of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate
The XLogP value of 3.58058 indicates that Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate. Following Lipinski's Rule of Five, Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate 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 Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate?
The CAS number of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate is 840495-46-7.
What is the molecular formula of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate?
The molecular formula of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate is C22H20N4O2.
What is the molecular weight of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate?
The molecular weight of Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate is 372.16 g/mol.
Where can I buy Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate?
You can request a quote for Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.