(3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate
TL;DR: (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate (CAS 877796-15-1) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-bromobenzoate
Also Known As: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-2-yl)methyl 2-bromobenzoate, (3-acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate, (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-bromobenzoate, 2-acetyl-3-(((2-bromobenzoyl)oxy)methyl)-7-ethoxyquinoxaline 1-oxide
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.589 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 1067.8905 |
Chemical Identifiers
| CAS Number | 877796-15-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)C3=CC=CC=C3Br |
Product Overview
(3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate (CAS 877796-15-1), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-bromobenzoate.
Chemical Property Profile of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate
Property Insights of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate
The XLogP value of 3.589 indicates that (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate 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-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate?
The CAS number of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate is 877796-15-1.
What is the molecular formula of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate?
The molecular formula of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate is C20H17BrN2O5.
What is the molecular weight of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate?
The molecular weight of (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate is 444.03 g/mol.
Where can I buy (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate?
You can request a quote for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate 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-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-ethoxy-4-oxidoquinoxalin-2-yl)methyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.