2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide
TL;DR: 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide (CAS 577789-05-0) is a chemical compound with molecular formula C21H24ClNO4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide
Also Known As: 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide, 2-(4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide, N-(1,1-dioxothiolan-3-yl)-2-(4-chlorophenoxy)-N-[(4-ethylphenyl)methyl]acetami de
| Molecular Formula | C21H24ClNO4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 3.4971 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.11145 |
| Heavy Atoms | 28 |
| Complexity | 910.4267 |
Chemical Identifiers
| CAS Number | 577789-05-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)COC3=CC=C(C=C3)Cl |
Product Overview
2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide (CAS 577789-05-0), with molecular formula C21H24ClNO4S and molecular weight 421.11 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide.
Chemical Property Profile of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide
Property Insights of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide
The XLogP value of 3.4971 indicates that 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide. Following Lipinski's Rule of Five, 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide has 0 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-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide?
The CAS number of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide is 577789-05-0.
What is the molecular formula of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide?
The molecular formula of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide is C21H24ClNO4S.
What is the molecular weight of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide?
The molecular weight of 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide is 421.11 g/mol.
Where can I buy 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide?
You can request a quote for 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.