N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 397280-58-9) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Also Known As: F0806-0876, N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide, N-[o-(2-cyanoethylthio)phenyl]p-(2,5-dioxo-1-pyrrolidinyl)benzamide
| Molecular Formula | C20H17N3O3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.59808 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.09906 |
| Heavy Atoms | 27 |
| Complexity | 902.81433 |
Chemical Identifiers
| CAS Number | 397280-58-9 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 397280-58-9), with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
The XLogP value of 3.59808 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide has 1 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 N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is 397280-58-9.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is C20H17N3O3S.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is 379.10 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.