2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide
TL;DR: 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide (CAS 846586-06-9) is a chemical compound with molecular formula C21H24FNO4S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide, 2-(3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide, 2-(3,5-DIMETHYLPHENOXY)-N-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)-N-(4-FLUOROBENZYL)ACETAMIDE
| Molecular Formula | C21H24FNO4S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 3.03724 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.14102 |
| Heavy Atoms | 28 |
| Complexity | 936.6209 |
Chemical Identifiers
| CAS Number | 846586-06-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3)C |
Product Overview
2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide (CAS 846586-06-9), with molecular formula C21H24FNO4S and molecular weight 405.14 g/mol. IUPAC: 2-(3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide
Property Insights of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide
The XLogP value of 3.03724 indicates that 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)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-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide. Following Lipinski's Rule of Five, 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)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-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide?
The CAS number of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide is 846586-06-9.
What is the molecular formula of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide?
The molecular formula of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide is C21H24FNO4S.
What is the molecular weight of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide?
The molecular weight of 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide is 405.14 g/mol.
Where can I buy 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide?
You can request a quote for 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.