(E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide
TL;DR: (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide (CAS 532936-68-8) is a chemical compound with molecular formula C20H19Cl2N3OS and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,4-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide, (2E)-3-(2,4-dichlorophenyl)-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}prop-2-enamide, (E)-3-(2,4-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide, 3-(2,4-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)thiocarbamoyl]prop-2-enamide
| Molecular Formula | C20H19Cl2N3OS |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 5.12 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.0626 |
| Heavy Atoms | 27 |
| Complexity | 879.2806 |
Chemical Identifiers
| CAS Number | 532936-68-8 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl |
Product Overview
(E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide (CAS 532936-68-8), with molecular formula C20H19Cl2N3OS and molecular weight 419.06 g/mol. IUPAC: (E)-3-(2,4-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide
Property Insights of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide
The XLogP value of 5.12 indicates that (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide?
The CAS number of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide is 532936-68-8.
What is the molecular formula of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide?
The molecular formula of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide is C20H19Cl2N3OS.
What is the molecular weight of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide?
The molecular weight of (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide is 419.06 g/mol.
Where can I buy (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide?
You can request a quote for (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2,4-dichlorophenyl)-N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.