(2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
TL;DR: (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide (CAS 620557-22-4) is a chemical compound with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Also Known As: (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide, (E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acrylamide, (E)-3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
| Molecular Formula | C22H24ClNO5S |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 3.5863 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.10638 |
| Heavy Atoms | 30 |
| Complexity | 1033.9934 |
Chemical Identifiers
| CAS Number | 620557-22-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=C(C=C3)Cl)OC |
Product Overview
(2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide (CAS 620557-22-4), with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Property Insights of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
The XLogP value of 3.5863 indicates that (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide has 0 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 (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
The CAS number of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is 620557-22-4.
What is the molecular formula of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
The molecular formula of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is C22H24ClNO5S.
What is the molecular weight of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
The molecular weight of (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide is 449.11 g/mol.
Where can I buy (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
You can request a quote for (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-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)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-chlorophenyl)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.