methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate
TL;DR: methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate (CAS 369403-33-8) is a chemical compound with molecular formula C21H23NO6S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]sulfanyl]acetate
Also Known As: methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate, methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]sulfanyl]acetate, methyl {[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]sulfanyl}acetate
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.6677 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 898.7895 |
Chemical Identifiers
| CAS Number | 369403-33-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)C(=C(C=C3)OC)OC)SCC(=O)OC |
Product Overview
methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate (CAS 369403-33-8), with molecular formula C21H23NO6S and molecular weight 417.12 g/mol. IUPAC: methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate
Property Insights of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate
The XLogP value of 3.6677 indicates that methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate has 0 hydrogen bond donor(s) and 7 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 methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate?
The CAS number of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate is 369403-33-8.
What is the molecular formula of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate?
The molecular formula of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate is C21H23NO6S.
What is the molecular weight of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate?
The molecular weight of methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate is 417.12 g/mol.
Where can I buy methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate?
You can request a quote for methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxoisoindolin-1-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.