2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid
TL;DR: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid (CAS 474263-55-3) is a chemical compound with molecular formula C13H13NO5S and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-4-methylsulfinylbutanoic acid
Also Known As: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid, 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfinylbutanoic acid, 2-(1,3-dioxoisoindolin-2-yl)-4-(methylsulfinyl)butanoic acid, Cambridge id 6960365
| Molecular Formula | C13H13NO5S |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 0.5044 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.05145 |
| Heavy Atoms | 20 |
| Complexity | 577.534 |
Chemical Identifiers
| CAS Number | 474263-55-3 |
|---|---|
| SMILES | CS(=O)CCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid (CAS 474263-55-3), with molecular formula C13H13NO5S and molecular weight 295.05 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfinylbutanoic acid.
Chemical Property Profile of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid
Property Insights of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid
The XLogP value of 0.5044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid has 1 hydrogen bond donor(s) and 4 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-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid?
The CAS number of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid is 474263-55-3.
What is the molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid?
The molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid is C13H13NO5S.
What is the molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid?
The molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid is 295.05 g/mol.
Where can I buy 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid?
You can request a quote for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfinyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.