(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate
TL;DR: (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate (CAS 849031-12-5) is a chemical compound with molecular formula C22H22N2O8 and molecular weight 442.14 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 3,4,5-trimethoxybenzoate
Also Known As: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate, AO-022/43452807, (3-acetyl-6-methoxy-4-oxido-2-quinoxalinyl)methyl 3,4,5-trimethoxybenzoate, (3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate, (3-acetyl-6-methoxy-4-oxido-quinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C22H22N2O8 |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | 2.4622 |
| Topological Polar Surface Area | 120.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.1376 |
| Heavy Atoms | 32 |
| Complexity | 1167.2498 |
Chemical Identifiers
| CAS Number | 849031-12-5 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)[O-] |
Product Overview
(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate (CAS 849031-12-5), with molecular formula C22H22N2O8 and molecular weight 442.14 g/mol. IUPAC: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate
Property Insights of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.4622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate. The TPSA of 120.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 9 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 3,4,5-trimethoxybenzoate?
The CAS number of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate is 849031-12-5.
What is the molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate?
The molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate is C22H22N2O8.
What is the molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate?
The molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate is 442.14 g/mol.
Where can I buy (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate?
You can request a quote for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate 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 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.