(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate
TL;DR: (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate (CAS 862116-95-8) is a chemical compound with molecular formula C17H14N2O5S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate
Also Known As: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate, Thiophene-2-carboxylic acid 3-acetyl-6-methoxy-4-oxy-quinoxalin-2-ylmethyl ester, (3-acetyl-6-methoxy-4-oxidoquinoxalin-2-yl)methyl thiophene-2-carboxylate, (3-Acetyl-6-methoxy-4-oxo-4lambda~5~-quinoxalin-2-yl)methyl thiophene-2-carboxylate, (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate
| Molecular Formula | C17H14N2O5S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 2.4979 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.06235 |
| Heavy Atoms | 25 |
| Complexity | 953.32666 |
Chemical Identifiers
| CAS Number | 862116-95-8 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=CS3)[O-] |
Product Overview
(3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate (CAS 862116-95-8), with molecular formula C17H14N2O5S and molecular weight 358.06 g/mol. IUPAC: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate.
Chemical Property Profile of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate
Property Insights of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate
The XLogP value of 2.4979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 7 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-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate?
The CAS number of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate is 862116-95-8.
What is the molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate?
The molecular formula of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate is C17H14N2O5S.
What is the molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate?
The molecular weight of (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate is 358.06 g/mol.
Where can I buy (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate?
You can request a quote for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate 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-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.