2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 728024-15-5) is a chemical compound with molecular formula C16H12N4O8 and molecular weight 388.07 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 6-nitro-2-oxochromene-3-carboxylate
Also Known As: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate, VU0608242-1, A3848/0163466, F3268-0051, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6-nitro-2-oxochromene-3-carboxylate
| Molecular Formula | C16H12N4O8 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 1.97132 |
| Topological Polar Surface Area | 160.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.06552 |
| Heavy Atoms | 28 |
| Complexity | 1163.1509 |
Chemical Identifiers
| CAS Number | 728024-15-5 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)[N+](=O)[O-] |
Product Overview
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 728024-15-5), with molecular formula C16H12N4O8 and molecular weight 388.07 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 1.97132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. The TPSA of 160.61 Ų indicates high polarity, suggesting 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 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 6-nitro-2-oxo-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 9 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 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 728024-15-5.
What is the molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is C16H12N4O8.
What is the molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 388.07 g/mol.
Where can I buy 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 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 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 6-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.