![2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione structure](/static/products/855/85504-34-3.png)
2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione
TL;DR: 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione (CAS 85504-34-3) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione
Also Known As: 2-[(1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione, 2-((1,1-dioxido-2,5-dihydrothiophen-3-yl)methyl)isoindoline-1,3-dione, 2-[(1,1-diketo-2,5-dihydrothiophen-3-yl)methyl]isoindoline-1,3-quinone, 3-[(1,3-dioxobenzo[c]azolin-2-yl)methyl]-2,5-dihydrothiophene-1,1-dione, 2-[(1,1-dioxido-2,5-dihydrothiophen-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 85504-34-3 |
|---|---|
| SMILES | C1C=C(CS1(=O)=O)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | SKVXXLKCNIDAQW-UHFFFAOYSA-N |
Product Overview
2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione (CAS 85504-34-3), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 2-[(1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione
Property Insights of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione
The XLogP value of -0.1 indicates that 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-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-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione?
The CAS number of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione is 85504-34-3.
What is the molecular formula of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione?
The molecular formula of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione is C13H11NO4S.
What is the molecular weight of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione?
The molecular weight of 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione is 277.04 g/mol.
Where can I buy 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione?
You can request a quote for 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxo-2,5-dihydrothiophen-3-yl)methyl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.