![4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate structure](/static/products/1090/109006-11-3.webp)
4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate
TL;DR: 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate (CAS 109006-11-3) is a chemical compound with molecular formula C12H19NO5 and molecular weight 257.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,8-dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate
Technical Specifications
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.1263 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1263 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | C[N+](C)(C)CC1C(C(=O)CCCC(=O)O1)C(=O)[O-] |
| InChIKey | PFQGASVAINCIJE-UHFFFAOYSA-N |
Chemical Property Profile of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate
Property Insights of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate. Following Lipinski's Rule of Five, 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate 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 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate?
The CAS number of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate is 109006-11-3.
What is the molecular formula of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate?
The molecular formula of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate is C12H19NO5.
What is the molecular weight of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate?
The molecular weight of 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate is 257.1263 g/mol.
Where can I buy 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate?
You can request a quote for 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for 4,8-Dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.