Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
TL;DR: Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate (CAS 488111-09-7) is a chemical compound with molecular formula C18H20N4O2 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
Also Known As: propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate, propan-2-yl cyano[3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetate, 2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid isopropyl ester, isopropyl 2-cyano-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetate, propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate
| Molecular Formula | C18H20N4O2 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.15863 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 488111-09-7 |
|---|---|
| SMILES | CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3 |
| InChIKey | YWUWMXFQJIZJLM-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate (CAS 488111-09-7), with molecular formula C18H20N4O2 and molecular weight 324.16 g/mol. IUPAC: propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate.
Chemical Property Profile of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
Property Insights of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-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 Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
The CAS number of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate is 488111-09-7.
What is the molecular formula of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
The molecular formula of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate is C18H20N4O2.
What is the molecular weight of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
The molecular weight of Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate is 324.16 g/mol.
Where can I buy Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
You can request a quote for Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-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 Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.