RefChem:248842
TL;DR: RefChem:248842 (CAS 66223-19-6) is a chemical compound with molecular formula C12H20BrNO4 and molecular weight 321.05756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[(8-methyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl)methyl]azanium bromide
Also Known As: 1,6-Dioxo-N,N,N,8-tetramethyl-2,7-dioxaspiro(4.4)nonane-3-methanaminium bromide, 3,3-Spiro-bi-5-methyl-5'-trimethylammoniummethyltetrahydrofuranone-2 bromide, 2,7-Dioxaspiro(4.4)nonane-3-methanaminium, 1,6-dioxo-N,N,N,8-tetramethyl-, bromide, N,N,N-Trimethyl(8-methyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl)methanaminium bromide, trimethyl-[(2-methyl-4,9-dioxo-3,8-dioxaspiro[4.4]nonan-7-yl)methyl]azanium bromide
Technical Specifications
| Molecular Formula | C12H20BrNO4 |
| Molecular Weight | 321.05756 g/mol |
| XLogP | -2.67 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.05756 Da |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
| SMILES | CC1CC2(CC(OC2=O)C[N+](C)(C)C)C(=O)O1.[Br-] |
| InChIKey | QYGLHYNKSJOLMD-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:248842
Property Insights of RefChem:248842
The XLogP value of -2.67 indicates that RefChem:248842 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:248842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:248842 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 RefChem:248842?
The CAS number of RefChem:248842 is 66223-19-6.
What is the molecular formula of RefChem:248842?
The molecular formula of RefChem:248842 is C12H20BrNO4.
What is the molecular weight of RefChem:248842?
The molecular weight of RefChem:248842 is 321.05756 g/mol.
Where can I buy RefChem:248842?
You can request a quote for RefChem:248842 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:248842?
Yes, CoreyChem provides custom synthesis services for RefChem:248842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.