3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione
TL;DR: 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione (CAS 26581-82-8) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione
Also Known As: 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione, AP-676/40890470, 3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)dihydro-2H-pyran-2,6(3H)-dione, 3-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)oxane-2,6-dione, 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)dihydro-2H-pyran-2,6(3H)-dione
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 0.8746 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 551.6772 |
Chemical Identifiers
| CAS Number | 26581-82-8 |
|---|---|
| SMILES | C1CC(=O)OC(=O)C1N2CC3=CC=CC=C3C2=O |
Product Overview
3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione (CAS 26581-82-8), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione.
Chemical Property Profile of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione
Property Insights of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione
The XLogP value of 0.8746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione. Following Lipinski's Rule of Five, 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-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 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione?
The CAS number of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione is 26581-82-8.
What is the molecular formula of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione?
The molecular formula of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione is C13H11NO4.
What is the molecular weight of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione?
The molecular weight of 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione is 245.07 g/mol.
Where can I buy 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione?
You can request a quote for 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-oxo-1H-isoindol-2-yl)oxane-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.