![ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate structure](/static/products/857/857494-11-2.png)
ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
TL;DR: ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate (CAS 857494-11-2) is a chemical compound with molecular formula C18H22IN3O4 and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
Also Known As: ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate, VU0507667-1, F3023-0825, ethyl 4-(1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxylate, Ethyl 4-[1-(4-iodo-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carboxylate
| Molecular Formula | C18H22IN3O4 |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 2.00562 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.0655 |
| Heavy Atoms | 26 |
| Complexity | 731.1464 |
Chemical Identifiers
| CAS Number | 857494-11-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=C(C=C(C=C3)I)C |
Product Overview
ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate (CAS 857494-11-2), with molecular formula C18H22IN3O4 and molecular weight 471.07 g/mol. IUPAC: ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
Property Insights of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
The XLogP value of 2.00562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate 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 ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate?
The CAS number of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate is 857494-11-2.
What is the molecular formula of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate?
The molecular formula of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate is C18H22IN3O4.
What is the molecular weight of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate?
The molecular weight of ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate is 471.07 g/mol.
Where can I buy ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate?
You can request a quote for ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.