2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 728024-16-6) is a chemical compound with molecular formula C17H14N4O9 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxochromene-3-carboxylate
Also Known As: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate, VU0509851-1, AB00683037-01, A3848/0163467, F3127-0105
| Molecular Formula | C17H14N4O9 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 1.97992 |
| Topological Polar Surface Area | 169.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.07608 |
| Heavy Atoms | 30 |
| Complexity | 1227.9272 |
Chemical Identifiers
| CAS Number | 728024-16-6 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 728024-16-6), with molecular formula C17H14N4O9 and molecular weight 418.08 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 1.97992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate. The TPSA of 169.84 Ų indicates high polarity, suggesting 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 10 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-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate is 728024-16-6.
What is the molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate is C17H14N4O9.
What is the molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate is 418.08 g/mol.
Where can I buy 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.