3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)
TL;DR: 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) (CAS 11052-79-2) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,6S,7S)-2-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione;piperazine
Also Known As: Palasonin, piperazine salt (1:1), Palasonin, compd. with piperazine (1:1), 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1), (3aR,4R,7S,7aS)-3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)
Technical Specifications
| Molecular Formula | C13H20N2O4 |
| Molecular Weight | 268.1423 g/mol |
| XLogP | -0.5673 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.1423 Da |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
| SMILES | C[C@]12[C@H]3CC[C@@H]([C@H]1C(=O)OC2=O)O3.C1CNCCN1 |
| InChIKey | RMCSIXFNBJIYDA-HHMOTBFPSA-N |
Chemical Property Profile of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)
Property Insights of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)
The XLogP value of -0.5673 indicates that 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1). Following Lipinski's Rule of Five, 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)?
The CAS number of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) is 11052-79-2.
What is the molecular formula of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)?
The molecular formula of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) is C13H20N2O4.
What is the molecular weight of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)?
The molecular weight of 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) is 268.1423 g/mol.
Where can I buy 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)?
You can request a quote for 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1)?
Yes, CoreyChem provides custom synthesis services for 3a-Methylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione--piperazine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.