(3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate
TL;DR: (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate (CAS 862104-96-9) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 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-methylbutanoate
Also Known As: (3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate, (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbutanoate, 2-acetyl-7-methoxy-3-(((3-methylbutanoyl)oxy)methyl)quinoxaline 1-oxide
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.1687 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 786.1348 |
Chemical Identifiers
| CAS Number | 862104-96-9 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=NC2=C(C=C(C=C2)OC)[N+](=C1C(=O)C)[O-] |
Product Overview
(3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate (CAS 862104-96-9), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbutanoate.
Chemical Property Profile of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate
Property Insights of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate
The XLogP value of 2.1687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate. Following Lipinski's Rule of Five, (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate 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-2-yl)methyl 3-methylbutanoate?
The CAS number of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate is 862104-96-9.
What is the molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate?
The molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate is C17H20N2O5.
What is the molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate?
The molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate is 332.14 g/mol.
Where can I buy (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate?
You can request a quote for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate 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-2-yl)methyl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.