1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one
TL;DR: 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one (CAS 73599-95-8) is a chemical compound with molecular formula C14H21BrO2 and molecular weight 300.07248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromo-1-adamantyl)-2-ethoxyethanone
Also Known As: Ethanone, 1-(1-bromo-3-adamantyl)-2-ethoxy-, KETONE, 1-BROMO-3-ADAMANTYL ETHOXYMETHYL, 1-(3-bromo-1-adamantyl)-2-ethoxyethanone, 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one
Technical Specifications
| Molecular Formula | C14H21BrO2 |
| Molecular Weight | 300.07248 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07248 Da |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
| SMILES | CCOCC(=O)C12CC3CC(C1)CC(C3)(C2)Br |
| InChIKey | XHMJLHVKBLAQLN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one
Property Insights of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one has 0 hydrogen bond donor(s) and 2 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-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one?
The CAS number of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one is 73599-95-8.
What is the molecular formula of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one?
The molecular formula of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one is C14H21BrO2.
What is the molecular weight of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one?
The molecular weight of 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one is 300.07248 g/mol.
Where can I buy 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one?
You can request a quote for 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-Bromoadamantan-1-yl)-2-ethoxyethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.