2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate
TL;DR: 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate (CAS 13323-56-3) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
Also Known As: 2-(ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate, n-(3-Nitrophenyl)-3-oxo-butyramide, SDCCGMLS-0065364.P001, ethyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate, 2-(Ethoxycarbonyl)-3-methylquinoxaline 1,4-dioxide
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 13323-56-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C |
| InChIKey | GMGXWZSYCXQDEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate (CAS 13323-56-3), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: ethyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate.
Chemical Property Profile of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate
Property Insights of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate. Following Lipinski's Rule of Five, 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate 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 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate?
The CAS number of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate is 13323-56-3.
What is the molecular formula of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate?
The molecular formula of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate is C12H12N2O4.
What is the molecular weight of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate?
The molecular weight of 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate is 248.08 g/mol.
Where can I buy 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate?
You can request a quote for 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethoxycarbonyl)-3-methylquinoxalinediium-1,4-diolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.