(3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
TL;DR: (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate (CAS 861652-20-2) is a chemical compound with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
Also Known As: (3-acetyl-6-ethoxy-4-oxido-2-quinoxalinyl)methyl 3,5-dimethoxybenzoate, AO-022/43452855, (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate, 2-acetyl-3-(((3,5-dimethoxybenzoyl)oxy)methyl)-7-ethoxyquinoxaline 1-oxide, (3-acetyl-6-ethoxy-4-oxido-quinoxalin-2-yl)methyl 3,5-dimethoxybenzoate
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.8437 |
| Topological Polar Surface Area | 110.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 1122.1478 |
Chemical Identifiers
| CAS Number | 861652-20-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)C3=CC(=CC(=C3)OC)OC |
Product Overview
(3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate (CAS 861652-20-2), with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol. IUPAC: (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate.
Chemical Property Profile of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
Property Insights of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
The XLogP value of 2.8437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate. The TPSA of 110.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate has 0 hydrogen bond donor(s) and 8 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-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
The CAS number of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate is 861652-20-2.
What is the molecular formula of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
The molecular formula of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate is C22H22N2O7.
What is the molecular weight of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
The molecular weight of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate is 426.14 g/mol.
Where can I buy (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
You can request a quote for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate 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-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.