(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
TL;DR: (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate (CAS 861652-39-3) is a chemical compound with molecular formula C21H20N2O7 and molecular weight 412.13 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 3,5-dimethoxybenzoate
Also Known As: (3-acetyl-6-methoxy-4-oxido-2-quinoxalinyl)methyl 3,5-dimethoxybenzoate, AO-022/43454773, (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate, 2-acetyl-3-(((3,5-dimethoxybenzoyl)oxy)methyl)-7-methoxyquinoxaline 1-oxide, (3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3,5-dimethoxybenzoate
| Molecular Formula | C21H20N2O7 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 2.4536 |
| Topological Polar Surface Area | 110.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.12704 |
| Heavy Atoms | 30 |
| Complexity | 1105.7782 |
Chemical Identifiers
| CAS Number | 861652-39-3 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC(=CC(=C3)OC)OC)[O-] |
Product Overview
(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate (CAS 861652-39-3), with molecular formula C21H20N2O7 and molecular weight 412.13 g/mol. IUPAC: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate.
Chemical Property Profile of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
Property Insights of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate
The XLogP value of 2.4536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-methoxy-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-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6-methoxy-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-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
The CAS number of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate is 861652-39-3.
What is the molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
The molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate is C21H20N2O7.
What is the molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
The molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate is 412.13 g/mol.
Where can I buy (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
You can request a quote for (3-Acetyl-6-methoxy-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-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.