4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
TL;DR: 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate (CAS 523990-31-0) is a chemical compound with molecular formula C21H21NO7S and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate
Also Known As: 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate, (4-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate, 4-ethoxyphenyl 2-(1,3-dioxoisoindolin-2-yl)-4-(methylsulfonyl)butanoate, 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-methanesulfonyl-butyric acid 4-ethoxy-phenyl ester
| Molecular Formula | C21H21NO7S |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 2.0902 |
| Topological Polar Surface Area | 107.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.10388 |
| Heavy Atoms | 30 |
| Complexity | 1041.7887 |
Chemical Identifiers
| CAS Number | 523990-31-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate (CAS 523990-31-0), with molecular formula C21H21NO7S and molecular weight 431.10 g/mol. IUPAC: (4-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate.
Chemical Property Profile of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
Property Insights of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
The XLogP value of 2.0902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate. The TPSA of 107.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate. Following Lipinski's Rule of Five, 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate 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 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
The CAS number of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate is 523990-31-0.
What is the molecular formula of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
The molecular formula of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate is C21H21NO7S.
What is the molecular weight of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
The molecular weight of 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate is 431.10 g/mol.
Where can I buy 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
You can request a quote for 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.