(2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
TL;DR: (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide (CAS 620558-71-6) is a chemical compound with molecular formula C20H19Cl2NO3S and molecular weight 423.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Also Known As: (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide, (E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acrylamide, 3-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide, (E)-3-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
| Molecular Formula | C20H19Cl2NO3S |
|---|---|
| Molecular Weight | 423.05 g/mol |
| LogP | 4.2225 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.04626 |
| Heavy Atoms | 27 |
| Complexity | 955.447 |
Chemical Identifiers
| CAS Number | 620558-71-6 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
(2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide (CAS 620558-71-6), with molecular formula C20H19Cl2NO3S and molecular weight 423.05 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Property Insights of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
The XLogP value of 4.2225 indicates that (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide has 0 hydrogen bond donor(s) and 3 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 (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
The CAS number of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is 620558-71-6.
What is the molecular formula of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
The molecular formula of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is C20H19Cl2NO3S.
What is the molecular weight of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
The molecular weight of (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is 423.05 g/mol.
Where can I buy (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
You can request a quote for (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(3-chlorobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.