Ethyl (2-hydroxy-2-adamantyl)acetate
TL;DR: Ethyl (2-hydroxy-2-adamantyl)acetate (CAS 112181-97-2) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-hydroxy-2-adamantyl)acetate
Also Known As: ethyl (2-hydroxy-2-adamantyl)acetate, ethyl 2-(2-hydroxyadamantan-2-yl)acetate, ethyl 2-(2-hydroxy-2-adamantyl)acetate, ethyl(2-hydroxy-2-adamantyl)acetate, A4071/0173421
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 2.1268 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 295.42902 |
Chemical Identifiers
| CAS Number | 112181-97-2 |
|---|---|
| SMILES | CCOC(=O)CC1(C2CC3CC(C2)CC1C3)O |
Product Overview
Ethyl (2-hydroxy-2-adamantyl)acetate (CAS 112181-97-2), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: ethyl 2-(2-hydroxy-2-adamantyl)acetate.
Chemical Property Profile of Ethyl (2-hydroxy-2-adamantyl)acetate
Property Insights of Ethyl (2-hydroxy-2-adamantyl)acetate
The XLogP value of 2.1268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-hydroxy-2-adamantyl)acetate. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl (2-hydroxy-2-adamantyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-hydroxy-2-adamantyl)acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl (2-hydroxy-2-adamantyl)acetate?
The CAS number of Ethyl (2-hydroxy-2-adamantyl)acetate is 112181-97-2.
What is the molecular formula of Ethyl (2-hydroxy-2-adamantyl)acetate?
The molecular formula of Ethyl (2-hydroxy-2-adamantyl)acetate is C14H22O3.
What is the molecular weight of Ethyl (2-hydroxy-2-adamantyl)acetate?
The molecular weight of Ethyl (2-hydroxy-2-adamantyl)acetate is 238.16 g/mol.
Where can I buy Ethyl (2-hydroxy-2-adamantyl)acetate?
You can request a quote for Ethyl (2-hydroxy-2-adamantyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-hydroxy-2-adamantyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-hydroxy-2-adamantyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.