![N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide structure](/static/products/5794/579446-94-9.webp)
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide
TL;DR: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide (CAS 579446-94-9) is a chemical compound with molecular formula C26H36N2O4S and molecular weight 472.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
Also Known As: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide, N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-isopropyl-5-methylphenoxy)propanamide, N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
| Molecular Formula | C26H36N2O4S |
|---|---|
| Molecular Weight | 472.24 g/mol |
| LogP | 4.16762 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.2396 |
| Heavy Atoms | 33 |
| Complexity | 1077.9708 |
Chemical Identifiers
| CAS Number | 579446-94-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(C)C(=O)N(CC2=CC=C(C=C2)N(C)C)C3CCS(=O)(=O)C3 |
Product Overview
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide (CAS 579446-94-9), with molecular formula C26H36N2O4S and molecular weight 472.24 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
Chemical Property Profile of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide
Property Insights of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide
The XLogP value of 4.16762 indicates that N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide. Following Lipinski's Rule of Five, N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide 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 N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide?
The CAS number of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide is 579446-94-9.
What is the molecular formula of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide?
The molecular formula of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide is C26H36N2O4S.
What is the molecular weight of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide?
The molecular weight of N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide is 472.24 g/mol.
Where can I buy N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide?
You can request a quote for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.