2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione (CAS 25417-44-1) is a chemical compound with molecular formula C9H7NO4S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylisoindole-1,3-dione
Also Known As: 2-methylsulfonylisoindole-1,3-dione, 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione, 2-methanesulfonyl-2,3-dihydro-1H-isoindole-1,3-dione, 1H-ISOINDOLE-1,3(2H)-DIONE,2-(METHYLSULFONYL)-
| Molecular Formula | C9H7NO4S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.00958 |
| Heavy Atoms | 15 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 25417-44-1 |
|---|---|
| SMILES | CS(=O)(=O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | UCJPRBGGRIVABG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione (CAS 25417-44-1), with molecular formula C9H7NO4S and molecular weight 225.01 g/mol. IUPAC: 2-methylsulfonylisoindole-1,3-dione.
Chemical Property Profile of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione has 0 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-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione is 25417-44-1.
What is the molecular formula of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione is C9H7NO4S.
What is the molecular weight of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione is 225.01 g/mol.
Where can I buy 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methanesulfonyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.