2-Acetyl-5,6,7,8-tetrahydroquinoxaline
TL;DR: 2-Acetyl-5,6,7,8-tetrahydroquinoxaline (CAS 86461-70-3) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone
Also Known As: 2-Acetyl-5,6,7,8-tetrahydroquinoxaline, 1-(5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone, 1-(5,6,7,8-tetrahydro-2-quinoxalinyl)-ethanone, 1-(5,6,7,8-Tetrahydro-2-quinoxalinyl)ethanone #, Ethanone, 1-(5,6,7,8-tetrahydro-2-quinoxalinyl)-
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 86461-70-3 |
|---|---|
| SMILES | CC(=O)C1=CN=C2CCCCC2=N1 |
| InChIKey | JFQQHULILZCOIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-5,6,7,8-tetrahydroquinoxaline (CAS 86461-70-3), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 1-(5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline
Property Insights of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5,6,7,8-tetrahydroquinoxaline. With a topological polar surface area (TPSA) of 42.9 Ų, 2-Acetyl-5,6,7,8-tetrahydroquinoxaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-5,6,7,8-tetrahydroquinoxaline 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 2-Acetyl-5,6,7,8-tetrahydroquinoxaline?
The CAS number of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline is 86461-70-3.
What is the molecular formula of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline?
The molecular formula of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline is C10H12N2O.
What is the molecular weight of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline?
The molecular weight of 2-Acetyl-5,6,7,8-tetrahydroquinoxaline is 176.09 g/mol.
Where can I buy 2-Acetyl-5,6,7,8-tetrahydroquinoxaline?
You can request a quote for 2-Acetyl-5,6,7,8-tetrahydroquinoxaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5,6,7,8-tetrahydroquinoxaline?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5,6,7,8-tetrahydroquinoxaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.