![2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate structure](/static/products/4155/41552-52-7.webp)
2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
TL;DR: 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate (CAS 41552-52-7) is a chemical compound with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ylethyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
Also Known As: 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2, 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate, 2-pyrrolidin-1-ylethyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
| Molecular Formula | C20H22N4O4 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.1641 |
| Heavy Atoms | 28 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 41552-52-7 |
|---|---|
| SMILES | C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)OCCN3CCCC3)[N+](=O)[O-] |
| InChIKey | SSUWFOTUZGDWRK-UHFFFAOYSA-N |
Product Overview
2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate (CAS 41552-52-7), with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol. IUPAC: 2-pyrrolidin-1-ylethyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate.
Chemical Property Profile of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
Property Insights of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate
The XLogP value of 3.4 indicates that 2-pyrrolidin-1-ylethyl 4-[(E)-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 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate. Following Lipinski's Rule of Five, 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate has 0 hydrogen bond donor(s) and 6 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-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The CAS number of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is 41552-52-7.
What is the molecular formula of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The molecular formula of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is C20H22N4O4.
What is the molecular weight of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
The molecular weight of 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate is 382.16 g/mol.
Where can I buy 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
You can request a quote for 2-pyrrolidin-1-ylethyl 4-[(E)-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 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-pyrrolidin-1-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.