4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid
TL;DR: 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid (CAS 667406-18-0) is a chemical compound with molecular formula C13H12N2O8S and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid
Also Known As: 4-(methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid, 4-methylsulfonyl-2-(4-nitro-1,3-dioxo-isoindol-2-yl)butanoic Acid, 4-methylsulfonyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid, 4-(methylsulfonyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, 4-methanesulfonyl-2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
| Molecular Formula | C13H12N2O8S |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 0.0787 |
| Topological Polar Surface Area | 151.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.03143 |
| Heavy Atoms | 24 |
| Complexity | 860.7227 |
Chemical Identifiers
| CAS Number | 667406-18-0 |
|---|---|
| SMILES | CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-] |
Product Overview
4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid (CAS 667406-18-0), with molecular formula C13H12N2O8S and molecular weight 356.03 g/mol. IUPAC: 4-methylsulfonyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid.
Chemical Property Profile of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid
Property Insights of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid
The XLogP value of 0.0787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid. The TPSA of 151.96 Ų indicates high polarity, suggesting 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid has 1 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-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid?
The CAS number of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid is 667406-18-0.
What is the molecular formula of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid?
The molecular formula of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid is C13H12N2O8S.
What is the molecular weight of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid?
The molecular weight of 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid is 356.03 g/mol.
Where can I buy 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid?
You can request a quote for 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfonyl)-2-(4-nitro-1,3-dioxoisoindolin-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.