(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
TL;DR: (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate (CAS 862116-63-0) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
Also Known As: 2-acetyl-3-((benzoyloxy)methyl)-7-methoxyquinoxaline 1-oxide, (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate, (3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl benzoate
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.4364 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 986.1361 |
Chemical Identifiers
| CAS Number | 862116-63-0 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=CC=C3)[O-] |
Product Overview
(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate (CAS 862116-63-0), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate.
Chemical Property Profile of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
Property Insights of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
The XLogP value of 2.4364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate 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 (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
The CAS number of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate is 862116-63-0.
What is the molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
The molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate is C19H16N2O5.
What is the molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
The molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate is 352.11 g/mol.
Where can I buy (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
You can request a quote for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.