2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile
TL;DR: 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile (CAS 724748-59-8) is a chemical compound with molecular formula C28H23NO6S and molecular weight 501.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-ethoxy-4-[[2-(4-methylsulfanylphenyl)-4,6-dioxo-1,3-dioxan-5-ylidene]methyl]phenoxy]methyl]benzonitrile
Also Known As: 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile, 2-[[2-ethoxy-4-[[2-(4-methylsulfanylphenyl)-4,6-dioxo-1,3-dioxan-5-ylidene]methyl]phenoxy]methyl]benzonitrile, 2-{[2-ethoxy-4-({2-[4-(methylsulfanyl)phenyl]-4,6-dioxo-1,3-dioxan-5-ylidene}methyl)phenoxy]methyl}benzonitrile
| Molecular Formula | C28H23NO6S |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 5.44008 |
| Topological Polar Surface Area | 94.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.1246 |
| Heavy Atoms | 36 |
| Complexity | 1322.891 |
Chemical Identifiers
| CAS Number | 724748-59-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=O)OC(OC2=O)C3=CC=C(C=C3)SC)OCC4=CC=CC=C4C#N |
Product Overview
2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile (CAS 724748-59-8), with molecular formula C28H23NO6S and molecular weight 501.12 g/mol. IUPAC: 2-[[2-ethoxy-4-[[2-(4-methylsulfanylphenyl)-4,6-dioxo-1,3-dioxan-5-ylidene]methyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile
Property Insights of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile
The XLogP value of 5.44008 indicates that 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile. Following Lipinski's Rule of Five, 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile has 0 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-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile?
The CAS number of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile is 724748-59-8.
What is the molecular formula of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile?
The molecular formula of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile is C28H23NO6S.
What is the molecular weight of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile?
The molecular weight of 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile is 501.12 g/mol.
Where can I buy 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile?
You can request a quote for 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-ethoxy-4-((2-(4-(methylthio)phenyl)-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)phenoxy)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.