4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one
TL;DR: 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 60775-11-3) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-1,3,3-trimethylquinoxalin-2-one
Also Known As: BAS 01403771, 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one, 4-acetyl-1,3,3-trimethylquinoxalin-2-one, AB00102121-01, 4-Acetyl-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 60775-11-3 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2N(C(=O)C1(C)C)C |
| InChIKey | UOTKUOBLNAOVQW-UHFFFAOYSA-N |
Product Overview
4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 60775-11-3), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 4-acetyl-1,3,3-trimethylquinoxalin-2-one.
Chemical Property Profile of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one
Property Insights of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one. With a topological polar surface area (TPSA) of 40.6 Ų, 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one has 0 hydrogen bond donor(s) and 2 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-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one?
The CAS number of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one is 60775-11-3.
What is the molecular formula of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one?
The molecular formula of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one is C13H16N2O2.
What is the molecular weight of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one?
The molecular weight of 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one is 232.12 g/mol.
Where can I buy 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one?
You can request a quote for 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-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 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-1,3,3-trimethyl-3,4-dihydroquinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.