1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one
TL;DR: 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one (CAS 138716-21-9) is a chemical compound with molecular formula C15H23NO and molecular weight 233.17796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: Maybridge4_004590, 1-adamantyl-3-dimethylamino-2-propen-1-one, 1-(adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one, 1-(1-adamantyl)-3-(dimethylamino)prop-2-en-1-one, 3-(1-adamantyl)-1-(dimethylamino)-1-propen-3-one
Technical Specifications
| Molecular Formula | C15H23NO |
| Molecular Weight | 233.17796 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.17796 Da |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
| SMILES | CN(C)C=CC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | OHTCJRWKOLBHGG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one
Property Insights of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-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-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one?
The CAS number of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one is 138716-21-9.
What is the molecular formula of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one?
The molecular formula of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one is C15H23NO.
What is the molecular weight of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one?
The molecular weight of 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one is 233.17796 g/mol.
Where can I buy 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one?
You can request a quote for 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(Adamantan-1-yl)-3-(dimethylamino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.