Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate
TL;DR: Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate (CAS 579440-45-2) is a chemical compound with molecular formula C22H28N4O2 and molecular weight 380.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
Also Known As: VU0604844-1, Heptyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate, F3225-4770, heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate, heptyl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate
| Molecular Formula | C22H28N4O2 |
|---|---|
| Molecular Weight | 380.22 g/mol |
| LogP | 4.35078 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 380.22122 |
| Heavy Atoms | 28 |
| Complexity | 840.0359 |
Chemical Identifiers
| CAS Number | 579440-45-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 |
Product Overview
Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate (CAS 579440-45-2), with molecular formula C22H28N4O2 and molecular weight 380.22 g/mol. IUPAC: heptyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate.
Chemical Property Profile of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate
Property Insights of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate
The XLogP value of 4.35078 indicates that Heptyl 2-cyano-2-(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 Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, Heptyl 2-cyano-2-(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 Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate?
The CAS number of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate is 579440-45-2.
What is the molecular formula of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate?
The molecular formula of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate is C22H28N4O2.
What is the molecular weight of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate?
The molecular weight of Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate is 380.22 g/mol.
Where can I buy Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate?
You can request a quote for Heptyl 2-cyano-2-(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 Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.