3-acetyl-1-ethylquinoxalin-2(1H)-one
TL;DR: 3-acetyl-1-ethylquinoxalin-2(1H)-one (CAS 861633-44-5) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-ethylquinoxalin-2-one
Also Known As: 3-acetyl-1-ethylquinoxalin-2-one, 3-acetyl-1-ethylquinoxalin-2(1H)-one, 3-acetyl-1-ethyl-2-quinoxalinone, 3-acetyl-1-ethyl-quinoxalin-2-one, 3-ethanoyl-1-ethyl-quinoxalin-2-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 861633-44-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N=C(C1=O)C(=O)C |
| InChIKey | OWGBZKZEQVWGLN-UHFFFAOYSA-N |
Product Overview
3-acetyl-1-ethylquinoxalin-2(1H)-one (CAS 861633-44-5), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3-acetyl-1-ethylquinoxalin-2-one.
Chemical Property Profile of 3-acetyl-1-ethylquinoxalin-2(1H)-one
Property Insights of 3-acetyl-1-ethylquinoxalin-2(1H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-1-ethylquinoxalin-2(1H)-one. With a topological polar surface area (TPSA) of 49.7 Ų, 3-acetyl-1-ethylquinoxalin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-1-ethylquinoxalin-2(1H)-one has 0 hydrogen bond donor(s) and 3 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 3-acetyl-1-ethylquinoxalin-2(1H)-one?
The CAS number of 3-acetyl-1-ethylquinoxalin-2(1H)-one is 861633-44-5.
What is the molecular formula of 3-acetyl-1-ethylquinoxalin-2(1H)-one?
The molecular formula of 3-acetyl-1-ethylquinoxalin-2(1H)-one is C12H12N2O2.
What is the molecular weight of 3-acetyl-1-ethylquinoxalin-2(1H)-one?
The molecular weight of 3-acetyl-1-ethylquinoxalin-2(1H)-one is 216.09 g/mol.
Where can I buy 3-acetyl-1-ethylquinoxalin-2(1H)-one?
You can request a quote for 3-acetyl-1-ethylquinoxalin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-1-ethylquinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-ethylquinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.