(3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
TL;DR: (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate (CAS 861139-19-7) is a chemical compound with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
Also Known As: (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalinyl)methyl benzoate, 2-benzoyl-3-((benzoyloxy)methyl)-7-ethoxyquinoxaline 1-oxide, AO-022/43452844, (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate, (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-2-yl)methyl Benzoate
| Molecular Formula | C25H20N2O5 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.8549 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.1372 |
| Heavy Atoms | 32 |
| Complexity | 1274.013 |
Chemical Identifiers
| CAS Number | 861139-19-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4 |
Product Overview
(3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate (CAS 861139-19-7), with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol. IUPAC: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate.
Chemical Property Profile of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
Property Insights of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
The XLogP value of 3.8549 indicates that (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate 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-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate 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-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
The CAS number of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate is 861139-19-7.
What is the molecular formula of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
The molecular formula of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate is C25H20N2O5.
What is the molecular weight of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
The molecular weight of (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate is 428.14 g/mol.
Where can I buy (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
You can request a quote for (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.