2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
TL;DR: 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate (CAS 650595-98-5) is a chemical compound with molecular formula C21H18FNO7S and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate, [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate, 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxoisoindolin-2-yl)-4-(methylsulfonyl)butanoate
| Molecular Formula | C21H18FNO7S |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 1.6511 |
| Topological Polar Surface Area | 114.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.0788 |
| Heavy Atoms | 31 |
| Complexity | 1123.5056 |
Chemical Identifiers
| CAS Number | 650595-98-5 |
|---|---|
| SMILES | CS(=O)(=O)CCC(C(=O)OCC(=O)C1=CC=C(C=C1)F)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate (CAS 650595-98-5), with molecular formula C21H18FNO7S and molecular weight 447.08 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate.
Chemical Property Profile of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
Property Insights of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate
The XLogP value of 1.6511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate. The TPSA of 114.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate. Following Lipinski's Rule of Five, 2-(4-fluorophenyl)-2-oxoethyl 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 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
The CAS number of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate is 650595-98-5.
What is the molecular formula of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
The molecular formula of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate is C21H18FNO7S.
What is the molecular weight of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
The molecular weight of 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate is 447.08 g/mol.
Where can I buy 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
You can request a quote for 2-(4-fluorophenyl)-2-oxoethyl 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 2-(4-fluorophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-fluorophenyl)-2-oxoethyl 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.