(2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate
TL;DR: (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate (CAS 331245-05-7) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate
Also Known As: BAS 00345427, 2,5-dioxo-1-phenylpyrrolidin-3-yl N'-phenylimidothiocarbamate, (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate, 2,5-dioxo-1-phenyl-3-pyrrolidinyl N'-phenylimidothiocarbamate, 2-(2,5-Dioxo-1-phenyl-pyrrolidin-3-yl)-1-phenyl-isothiourea
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.6981 |
| Topological Polar Surface Area | 75.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 746.9485 |
Chemical Identifiers
| CAS Number | 331245-05-7 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC(=NC3=CC=CC=C3)N |
Product Overview
(2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate (CAS 331245-05-7), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate.
Chemical Property Profile of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate
Property Insights of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate
The XLogP value of 2.6981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate. The TPSA of 75.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate. Following Lipinski's Rule of Five, (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate has 1 hydrogen bond donor(s) and 4 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 (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate?
The CAS number of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate is 331245-05-7.
What is the molecular formula of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate?
The molecular formula of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate is C17H15N3O2S.
What is the molecular weight of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate?
The molecular weight of (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate is 325.09 g/mol.
Where can I buy (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate?
You can request a quote for (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-phenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.