3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
TL;DR: 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione (CAS 13988-26-6) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6,9-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
Also Known As: Howflex GBP, Diethylene glycol bisphthalate, Diethylene Glycol Cyclic Phthalate, Terizidone Impurity 2, PA-DEG
Technical Specifications
| Molecular Formula | C12H12O5 |
| Molecular Weight | 236.06847 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.06847 Da |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
| SMILES | C1COC(=O)C2=CC=CC=C2C(=O)OCCO1 |
| InChIKey | LZEGUDFMCKJMPX-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
Property Insights of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione. Following Lipinski's Rule of Five, 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione?
The CAS number of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione is 13988-26-6.
What is the molecular formula of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione?
The molecular formula of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione is C12H12O5.
What is the molecular weight of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione?
The molecular weight of 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione is 236.06847 g/mol.
Where can I buy 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione?
You can request a quote for 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione?
Yes, CoreyChem provides custom synthesis services for 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.