![2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate structure](/static/products/574/5742-50-7.png)
2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate
TL;DR: 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate (CAS 5742-50-7) is a chemical compound with molecular formula C26H27N3O6S2 and molecular weight 541.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethyl 2-[4-[(E)-[[4-[benzenesulfonyl(methyl)amino]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
Also Known As: 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate, (2,4-dichlorophenoxy)acetic acid inverted exclamation mark feminine2,2 inverted exclamation mark -azanediyldi(ethan-1-ol), (5S,10S,13S,17S)-17-Hydroxy-3-methoxy-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile, 2-methylsulfanylethyl 2-[4-[(E)-[[4-[benzenesulfonyl(methyl)amino]benzoyl]hydrazinylidene]methyl]phenoxy]acetate, 2-methylthioethyl 2-{4-[(1E)-2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbony lamino)-2-azavinyl]phenoxy}acetate
| Molecular Formula | C26H27N3O6S2 |
|---|---|
| Molecular Weight | 541.13 g/mol |
| LogP | 3.5606 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 541.13416 |
| Heavy Atoms | 37 |
| Complexity | 1312.6826 |
Chemical Identifiers
| CAS Number | 5742-50-7 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)OCCSC)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate (CAS 5742-50-7), with molecular formula C26H27N3O6S2 and molecular weight 541.13 g/mol. IUPAC: 2-methylsulfanylethyl 2-[4-[(E)-[[4-[benzenesulfonyl(methyl)amino]benzoyl]hydrazinylidene]methyl]phenoxy]acetate.
Chemical Property Profile of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate
Property Insights of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate
The XLogP value of 3.5606 indicates that 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate. Following Lipinski's Rule of Five, 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate?
The CAS number of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate is 5742-50-7.
What is the molecular formula of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate?
The molecular formula of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate is C26H27N3O6S2.
What is the molecular weight of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate?
The molecular weight of 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate is 541.13 g/mol.
Where can I buy 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate?
You can request a quote for 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylsulfanyl)ethyl (4-{(E)-[2-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.