Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate
TL;DR: Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate (CAS 52804-25-8) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(1-adamantyl)phenoxy]acetate
Also Known As: ChemDiv3_000370, Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate, ethyl 2-[4-(1-adamantyl)phenoxy]acetate, BAS 00473214, ethyl 2-(4-adamantanylphenoxy)acetate
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 4.0963 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 539.7703 |
Chemical Identifiers
| CAS Number | 52804-25-8 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate (CAS 52804-25-8), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: ethyl 2-[4-(1-adamantyl)phenoxy]acetate.
Chemical Property Profile of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate
Property Insights of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate
The XLogP value of 4.0963 indicates that Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate has 0 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-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate?
The CAS number of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate is 52804-25-8.
What is the molecular formula of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate?
The molecular formula of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate is C20H26O3.
What is the molecular weight of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate?
The molecular weight of Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate is 314.19 g/mol.
Where can I buy Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate?
You can request a quote for Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)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-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.