(3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate
TL;DR: (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate (CAS 850235-45-9) 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-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate
Also Known As: (3-acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate, (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate, 2-acetyl-3-(((3,4,5-trimethoxybenzoyl)oxy)methyl)quinoxaline 1-oxide
| 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 | 1102.7782 |
Chemical Identifiers
| CAS Number | 850235-45-9 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)[O-] |
Product Overview
(3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate (CAS 850235-45-9), with molecular formula C21H20N2O7 and molecular weight 412.13 g/mol. IUPAC: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate
Property Insights of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.4536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate. The TPSA of 110.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate 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-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate?
The CAS number of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate is 850235-45-9.
What is the molecular formula of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate?
The molecular formula of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate is C21H20N2O7.
What is the molecular weight of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate?
The molecular weight of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate is 412.13 g/mol.
Where can I buy (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate?
You can request a quote for (3-Acetyl-4-oxidoquinoxalin-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-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.