(3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate
TL;DR: (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate (CAS 862489-52-9) is a chemical compound with molecular formula C19H14Cl2N2O4 and molecular weight 404.03 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-methylbenzoate
Also Known As: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate, 2-acetyl-6,7-dichloro-3-(((2-methylbenzoyl)oxy)methyl)quinoxaline 1-oxide, (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-methylbenzoate
| Molecular Formula | C19H14Cl2N2O4 |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.04302 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.03305 |
| Heavy Atoms | 27 |
| Complexity | 1082.983 |
Chemical Identifiers
| CAS Number | 862489-52-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C)[O-])Cl)Cl |
Product Overview
(3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate (CAS 862489-52-9), with molecular formula C19H14Cl2N2O4 and molecular weight 404.03 g/mol. IUPAC: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-methylbenzoate.
Chemical Property Profile of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate
Property Insights of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate
The XLogP value of 4.04302 indicates that (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-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-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate. Following Lipinski's Rule of Five, (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-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-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate?
The CAS number of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate is 862489-52-9.
What is the molecular formula of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate?
The molecular formula of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate is C19H14Cl2N2O4.
What is the molecular weight of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate?
The molecular weight of (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate is 404.03 g/mol.
Where can I buy (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate?
You can request a quote for (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate 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-2-yl)methyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6,7-dichloro-4-oxidoquinoxalin-2-yl)methyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.