![Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate structure](/static/products/848/848995-45-9.png)
Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
TL;DR: Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate (CAS 848995-45-9) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
Also Known As: 2-(ethoxycarbonyl)-3-(((4-methylbenzoyl)oxy)methyl)quinoxaline 1-oxide, ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate, ethyl 3-({[(4-methylphenyl)carbonyl]oxy}methyl)quinoxaline-2-carboxylate 1-oxide
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.71032 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 999.17474 |
Chemical Identifiers
| CAS Number | 848995-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C)[O-] |
Product Overview
Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate (CAS 848995-45-9), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
Property Insights of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
The XLogP value of 2.71032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate 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 Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate?
The CAS number of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate is 848995-45-9.
What is the molecular formula of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate?
The molecular formula of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate is C20H18N2O5.
What is the molecular weight of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate?
The molecular weight of Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate is 366.12 g/mol.
Where can I buy Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate?
You can request a quote for Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.