methyl (2,4-dinitro-1H-imidazol-1-yl)acetate
TL;DR: methyl (2,4-dinitro-1H-imidazol-1-yl)acetate (CAS 331660-65-2) is a chemical compound with molecular formula C6H6N4O6 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitroimidazol-1-yl)acetate
Also Known As: methyl 2-(2,4-dinitroimidazol-1-yl)acetate, methyl (2,4-dinitro-1H-imidazol-1-yl)acetate, methyl {2,4-bisnitro-1H-imidazol-1-yl}acetate, methyl 2-(2,4-dinitro-1H-imidazol-1-yl)acetate
| Molecular Formula | C6H6N4O6 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | -0.1275 |
| Topological Polar Surface Area | 130.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.02873 |
| Heavy Atoms | 16 |
| Complexity | 451.87128 |
Chemical Identifiers
| CAS Number | 331660-65-2 |
|---|---|
| SMILES | COC(=O)CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
methyl (2,4-dinitro-1H-imidazol-1-yl)acetate (CAS 331660-65-2), with molecular formula C6H6N4O6 and molecular weight 230.03 g/mol. IUPAC: methyl 2-(2,4-dinitroimidazol-1-yl)acetate.
Chemical Property Profile of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate
Property Insights of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate
The XLogP value of -0.1275 indicates that methyl (2,4-dinitro-1H-imidazol-1-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2,4-dinitro-1H-imidazol-1-yl)acetate. Following Lipinski's Rule of Five, methyl (2,4-dinitro-1H-imidazol-1-yl)acetate 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 methyl (2,4-dinitro-1H-imidazol-1-yl)acetate?
The CAS number of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate is 331660-65-2.
What is the molecular formula of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate?
The molecular formula of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate is C6H6N4O6.
What is the molecular weight of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate?
The molecular weight of methyl (2,4-dinitro-1H-imidazol-1-yl)acetate is 230.03 g/mol.
Where can I buy methyl (2,4-dinitro-1H-imidazol-1-yl)acetate?
You can request a quote for methyl (2,4-dinitro-1H-imidazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2,4-dinitro-1H-imidazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2,4-dinitro-1H-imidazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.