1,4-Dioxecane-5,10-dione
TL;DR: 1,4-Dioxecane-5,10-dione (CAS 15498-31-4) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dioxecane-5,10-dione
Also Known As: 1,4-Dioxecane-5,10-dione, ethylene adipate, Ethylene glycol adipate, CYCLIC EG-AA, Adipic acid ethylene ester
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07356 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.07356 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | C1CCC(=O)OCCOC(=O)C1 |
| InChIKey | PAALZGOZEUHCET-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dioxecane-5,10-dione
Property Insights of 1,4-Dioxecane-5,10-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dioxecane-5,10-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dioxecane-5,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxecane-5,10-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
What is the CAS number of 1,4-Dioxecane-5,10-dione?
The CAS number of 1,4-Dioxecane-5,10-dione is 15498-31-4.
What is the molecular formula of 1,4-Dioxecane-5,10-dione?
The molecular formula of 1,4-Dioxecane-5,10-dione is C8H12O4.
What is the molecular weight of 1,4-Dioxecane-5,10-dione?
The molecular weight of 1,4-Dioxecane-5,10-dione is 172.07356 g/mol.
Where can I buy 1,4-Dioxecane-5,10-dione?
You can request a quote for 1,4-Dioxecane-5,10-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dioxecane-5,10-dione?
Yes, CoreyChem provides custom synthesis services for 1,4-Dioxecane-5,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.