3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide
TL;DR: 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide (CAS 402910-27-4) is a chemical compound with molecular formula C17H22N2O3S2 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
Also Known As: Tox21_300454, CAS-402910-27-4, 3-((dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide, 3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide, 3-[(Dimethylamino)methyl]-4-[3-methyl-4-(methylsulfanyl)phenoxy]benzene-1-sulfonamide
| Molecular Formula | C17H22N2O3S2 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 3.21822 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.10718 |
| Heavy Atoms | 24 |
| Complexity | 833.7244 |
Chemical Identifiers
| CAS Number | 402910-27-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN(C)C)SC |
Product Overview
3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide (CAS 402910-27-4), with molecular formula C17H22N2O3S2 and molecular weight 366.11 g/mol. IUPAC: 3-[(dimethylamino)methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide.
Chemical Property Profile of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide
Property Insights of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide
The XLogP value of 3.21822 indicates that 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide. Following Lipinski's Rule of Five, 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide has 1 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 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide?
The CAS number of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide is 402910-27-4.
What is the molecular formula of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide?
The molecular formula of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide is C17H22N2O3S2.
What is the molecular weight of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide?
The molecular weight of 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide is 366.11 g/mol.
Where can I buy 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide?
You can request a quote for 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.