![[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate structure](/static/products/585/5850-95-3.png)
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate
TL;DR: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate (CAS 5850-95-3) is a chemical compound with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-(2-phenylethyl)carbamimidothioate
Also Known As: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate|1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl N'-(4-methoxyphenyl)-N-(2-phenylethyl)imidothiocarbamate
| Molecular Formula | C27H27N3O4S |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 4.7797 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.17224 |
| Heavy Atoms | 35 |
| Complexity | 1181.313 |
Chemical Identifiers
| CAS Number | 5850-95-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=NCCC2=CC=CC=C2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)OC |
Product Overview
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate (CAS 5850-95-3), with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol. IUPAC: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-(2-phenylethyl)carbamimidothioate.
Chemical Property Profile of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate
Property Insights of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate
The XLogP value of 4.7797 indicates that [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate. Following Lipinski's Rule of Five, [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate has 1 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 [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate?
The CAS number of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate is 5850-95-3.
What is the molecular formula of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate?
The molecular formula of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate is C27H27N3O4S.
What is the molecular weight of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate?
The molecular weight of [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate is 489.17 g/mol.
Where can I buy [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate?
You can request a quote for [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-methoxyphenyl)-N'-phenethylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.