(3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate
TL;DR: (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate (CAS 850156-53-5) is a chemical compound with molecular formula C18H13FN2O4 and molecular weight 340.09 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 2-fluorobenzoate
Also Known As: (3-acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate, 2-acetyl-3-(((2-fluorobenzoyl)oxy)methyl)quinoxaline 1-oxide, (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate
| Molecular Formula | C18H13FN2O4 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.5669 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.08594 |
| Heavy Atoms | 25 |
| Complexity | 987.97205 |
Chemical Identifiers
| CAS Number | 850156-53-5 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3F)[O-] |
Product Overview
(3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate (CAS 850156-53-5), with molecular formula C18H13FN2O4 and molecular weight 340.09 g/mol. IUPAC: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate.
Chemical Property Profile of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate
Property Insights of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate
The XLogP value of 2.5669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate. Following Lipinski's Rule of Five, (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 5 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 2-fluorobenzoate?
The CAS number of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate is 850156-53-5.
What is the molecular formula of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate?
The molecular formula of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate is C18H13FN2O4.
What is the molecular weight of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate?
The molecular weight of (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate is 340.09 g/mol.
Where can I buy (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate?
You can request a quote for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate 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 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.