![Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate structure](/static/products/4159/41590-71-0.webp)
Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
TL;DR: Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate (CAS 41590-71-0) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
Also Known As: butyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzo, butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 41590-71-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C=CC2=NC=C(N2C=C)[N+](=O)[O-] |
| InChIKey | IKDAKWLUAPUVGI-UHFFFAOYSA-N |
Product Overview
Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate (CAS 41590-71-0), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate.
Chemical Property Profile of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
Property Insights of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
The XLogP value of 4.2 indicates that Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate. Following Lipinski's Rule of Five, Butyl 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 Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The CAS number of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is 41590-71-0.
What is the molecular formula of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The molecular formula of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is C18H19N3O4.
What is the molecular weight of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The molecular weight of Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is 341.14 g/mol.
Where can I buy Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
You can request a quote for Butyl 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 Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.