(3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate
TL;DR: (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate (CAS 714929-45-0) is a chemical compound with molecular formula C18H13N3O6 and molecular weight 367.08 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-nitrobenzoate
Also Known As: 2-acetyl-3-(((3-nitrobenzoyl)oxy)methyl)quinoxaline 1-oxide, (3-acetyl-4-oxidoquinoxalin-2-yl)methyl 3-nitrobenzoate, (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate
| Molecular Formula | C18H13N3O6 |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 2.336 |
| Topological Polar Surface Area | 126.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.08044 |
| Heavy Atoms | 27 |
| Complexity | 1079.88 |
Chemical Identifiers
| CAS Number | 714929-45-0 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-] |
Product Overview
(3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate (CAS 714929-45-0), with molecular formula C18H13N3O6 and molecular weight 367.08 g/mol. IUPAC: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate.
Chemical Property Profile of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate
Property Insights of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate
The XLogP value of 2.336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate. The TPSA of 126.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate. Following Lipinski's Rule of Five, (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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-4-ium-2-yl)methyl 3-nitrobenzoate?
The CAS number of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate is 714929-45-0.
What is the molecular formula of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate?
The molecular formula of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate is C18H13N3O6.
What is the molecular weight of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate?
The molecular weight of (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate is 367.08 g/mol.
Where can I buy (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate?
You can request a quote for (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate 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-4-ium-2-yl)methyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.