![1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate structure](/static/products/5563/5563-50-8.webp)
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate
TL;DR: 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate (CAS 5563-50-8) is a chemical compound with molecular formula C29H31N3O3S and molecular weight 501.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate
Also Known As: BAS 00485236, 1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl N,N'-diphenylimidothiocarbamate, 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate, A1206/0055560, [1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate
| Molecular Formula | C29H31N3O3S |
|---|---|
| Molecular Weight | 501.21 g/mol |
| LogP | 6.8106 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.20862 |
| Heavy Atoms | 36 |
| Complexity | 1167.3884 |
Chemical Identifiers
| CAS Number | 5563-50-8 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4 |
Product Overview
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate (CAS 5563-50-8), with molecular formula C29H31N3O3S and molecular weight 501.21 g/mol. IUPAC: [1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate.
Chemical Property Profile of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate
Property Insights of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate
The XLogP value of 6.8106 indicates that 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate. Following Lipinski's Rule of Five, 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate?
The CAS number of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate is 5563-50-8.
What is the molecular formula of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate?
The molecular formula of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate is C29H31N3O3S.
What is the molecular weight of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate?
The molecular weight of 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate is 501.21 g/mol.
Where can I buy 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate?
You can request a quote for 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.