2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
TL;DR: 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide (CAS 577998-56-2) is a chemical compound with molecular formula C23H28ClNO4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)acetamide
Also Known As: 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide, 2-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)acetamide, N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-tert-butylphenoxy)acetamide, 2-(4-(tert-butyl)phenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide, 2-(4-TERT-BUTYLPHENOXY)-N-[(4-CHLOROPHENYL)METHYL]-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)ACETAMIDE
| Molecular Formula | C23H28ClNO4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 4.2322 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.14276 |
| Heavy Atoms | 30 |
| Complexity | 979.35834 |
Chemical Identifiers
| CAS Number | 577998-56-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC(=O)N(CC2=CC=C(C=C2)Cl)C3CCS(=O)(=O)C3 |
Product Overview
2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide (CAS 577998-56-2), with molecular formula C23H28ClNO4S and molecular weight 449.14 g/mol. IUPAC: 2-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)acetamide.
Chemical Property Profile of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Property Insights of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
The XLogP value of 4.2322 indicates that 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)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-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide. Following Lipinski's Rule of Five, 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)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-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
The CAS number of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide is 577998-56-2.
What is the molecular formula of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
The molecular formula of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide is C23H28ClNO4S.
What is the molecular weight of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
The molecular weight of 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide is 449.14 g/mol.
Where can I buy 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
You can request a quote for 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)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-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-tert-butylphenoxy)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.