2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate
TL;DR: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate (CAS 728036-80-4) is a chemical compound with molecular formula C16H13N3O6 and molecular weight 343.08 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 2-oxochromene-3-carboxylate
Also Known As: BAS 12914062, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate, VU0510643-1, F3143-0061, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-oxochromene-3-carboxylate
| Molecular Formula | C16H13N3O6 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 2.06312 |
| Topological Polar Surface Area | 117.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.08044 |
| Heavy Atoms | 25 |
| Complexity | 1020.12714 |
Chemical Identifiers
| CAS Number | 728036-80-4 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-] |
Product Overview
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate (CAS 728036-80-4), with molecular formula C16H13N3O6 and molecular weight 343.08 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate
Property Insights of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate
The XLogP value of 2.06312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate. The TPSA of 117.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-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 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate?
The CAS number of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate is 728036-80-4.
What is the molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate is C16H13N3O6.
What is the molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate is 343.08 g/mol.
Where can I buy 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 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 2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.