(3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate
TL;DR: (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate (CAS 850735-35-2) is a chemical compound with molecular formula C18H11Cl2FN2O4 and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate
Also Known As: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate, 2-acetyl-6,7-dichloro-3-(((2-fluorobenzoyl)oxy)methyl)quinoxaline 1-oxide, (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-fluorobenzoate
| Molecular Formula | C18H11Cl2FN2O4 |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 3.8737 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.008 |
| Heavy Atoms | 27 |
| Complexity | 1088.635 |
Chemical Identifiers
| CAS Number | 850735-35-2 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=CC=C3F)Cl)Cl)[O-] |
Product Overview
(3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate (CAS 850735-35-2), with molecular formula C18H11Cl2FN2O4 and molecular weight 408.01 g/mol. IUPAC: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate.
Chemical Property Profile of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate
Property Insights of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate
The XLogP value of 3.8737 indicates that (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-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-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate?
The CAS number of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate is 850735-35-2.
What is the molecular formula of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate?
The molecular formula of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate is C18H11Cl2FN2O4.
What is the molecular weight of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate?
The molecular weight of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate is 408.01 g/mol.
Where can I buy (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate?
You can request a quote for (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-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-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.