![Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate structure](/static/products/4155/41552-48-1.webp)
Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
TL;DR: Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate (CAS 41552-48-1) is a chemical compound with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
Also Known As: methyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benz, methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
| Molecular Formula | C15H13N3O4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0906 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 41552-48-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=CC2=NC=C(N2C=C)[N+](=O)[O-] |
| InChIKey | RIZQZEBHWUKUJE-UHFFFAOYSA-N |
Product Overview
Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate (CAS 41552-48-1), with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol. IUPAC: methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate.
Chemical Property Profile of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
Property Insights of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate has 0 hydrogen bond donor(s) and 5 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 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The CAS number of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is 41552-48-1.
What is the molecular formula of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The molecular formula of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is C15H13N3O4.
What is the molecular weight of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The molecular weight of Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is 299.09 g/mol.
Where can I buy Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
You can request a quote for Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.