Ethyl 2-(adamantan-1-yl)acetate
TL;DR: Ethyl 2-(adamantan-1-yl)acetate (CAS 15782-66-8) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(1-adamantyl)acetate
Also Known As: ethyl 1-adamantylacetate, ethyl 2-(adamantan-1-yl)acetate, ethyl 2-(1-adamantyl)acetate, ethyl 1-adamantaneacetate, 1-adamantaneacetic acid ethyl ester
Technical Specifications
| Molecular Formula | C14H22O2 |
| Molecular Weight | 222.16199 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.16199 Da |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
| SMILES | CCOC(=O)CC12CC3CC(C1)CC(C3)C2 |
| InChIKey | NYDGUAAQLKCFQD-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(adamantan-1-yl)acetate
Property Insights of Ethyl 2-(adamantan-1-yl)acetate
The XLogP value of 3.9 indicates that Ethyl 2-(adamantan-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-(adamantan-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(adamantan-1-yl)acetate 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 Ethyl 2-(adamantan-1-yl)acetate?
The CAS number of Ethyl 2-(adamantan-1-yl)acetate is 15782-66-8.
What is the molecular formula of Ethyl 2-(adamantan-1-yl)acetate?
The molecular formula of Ethyl 2-(adamantan-1-yl)acetate is C14H22O2.
What is the molecular weight of Ethyl 2-(adamantan-1-yl)acetate?
The molecular weight of Ethyl 2-(adamantan-1-yl)acetate is 222.16199 g/mol.
Where can I buy Ethyl 2-(adamantan-1-yl)acetate?
You can request a quote for Ethyl 2-(adamantan-1-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(adamantan-1-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(adamantan-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.