![4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile structure](/static/products/7498/749895-26-9.webp)
4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile
TL;DR: 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile (CAS 749895-26-9) is a chemical compound with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile
Also Known As: 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile, 4-[2-(2,2-Dimethyl-3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-2-oxoethoxy]benzonitrile
| Molecular Formula | C19H17N3O3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 2.70098 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.12698 |
| Heavy Atoms | 25 |
| Complexity | 866.2282 |
Chemical Identifiers
| CAS Number | 749895-26-9 |
|---|---|
| SMILES | CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)C#N)C |
Product Overview
4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile (CAS 749895-26-9), with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol. IUPAC: 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile.
Chemical Property Profile of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile
Property Insights of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile
The XLogP value of 2.70098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile. Following Lipinski's Rule of Five, 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile has 1 hydrogen bond donor(s) and 4 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 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile?
The CAS number of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile is 749895-26-9.
What is the molecular formula of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile?
The molecular formula of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile is C19H17N3O3.
What is the molecular weight of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile?
The molecular weight of 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile is 335.13 g/mol.
Where can I buy 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile?
You can request a quote for 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.