2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid
TL;DR: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid (CAS 355810-85-4) is a chemical compound with molecular formula C13H13NO6S and molecular weight 311.05 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-methylsulfonylbutanoic acid
Also Known As: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoic acid, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid, BAS 00138933, 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoic acid, 4-(Methylsulfonyl)-2-phthalimidobutyric acid
| Molecular Formula | C13H13NO6S |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.04636 |
| Heavy Atoms | 21 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 355810-85-4 |
|---|---|
| SMILES | CS(=O)(=O)CCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | LHFMZTWTJXSQGK-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid (CAS 355810-85-4), with molecular formula C13H13NO6S and molecular weight 311.05 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoic acid.
Chemical Property Profile of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid
Property Insights of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid has 1 hydrogen bond donor(s) and 6 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-(methylsulfonyl)butanoic acid?
The CAS number of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid is 355810-85-4.
What is the molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid?
The molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid is C13H13NO6S.
What is the molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid?
The molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid is 311.05 g/mol.
Where can I buy 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid?
You can request a quote for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)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-(methylsulfonyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.