(3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate
TL;DR: (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate (CAS 849031-49-8) is a chemical compound with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate
Also Known As: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate, 2-benzoyl-3-(((3-methylbenzoyl)oxy)methyl)quinoxaline 1-oxide, [4-oxido-3-(phenylcarbonyl)quinoxalin-2-yl]methyl 3-methylbenzoate
| Molecular Formula | C24H18N2O4 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.76462 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.12665 |
| Heavy Atoms | 30 |
| Complexity | 1252.7832 |
Chemical Identifiers
| CAS Number | 849031-49-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-] |
Product Overview
(3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate (CAS 849031-49-8), with molecular formula C24H18N2O4 and molecular weight 398.13 g/mol. IUPAC: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate.
Chemical Property Profile of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate
Property Insights of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate
The XLogP value of 3.76462 indicates that (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate 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-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate. Following Lipinski's Rule of Five, (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate 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-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate?
The CAS number of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate is 849031-49-8.
What is the molecular formula of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate?
The molecular formula of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate is C24H18N2O4.
What is the molecular weight of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate?
The molecular weight of (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate is 398.13 g/mol.
Where can I buy (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate?
You can request a quote for (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.