Ethyl 1-adamantanecarboxylate
TL;DR: Ethyl 1-adamantanecarboxylate (CAS 2094-73-7) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl adamantane-1-carboxylate
Also Known As: ethyl adamantane-1-carboxylate, Ethyl 1-adamantanecarboxylate, 1-Adamantanecarboxylic Acid Ethyl Ester, Ethyladamantane-1-carboxylate, 1-ethoxycarbonyladamantane
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 2094-73-7 |
|---|---|
| SMILES | CCOC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | SYEXGNJRYPOUSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-adamantanecarboxylate (CAS 2094-73-7), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: ethyl adamantane-1-carboxylate.
Chemical Property Profile of Ethyl 1-adamantanecarboxylate
Property Insights of Ethyl 1-adamantanecarboxylate
The XLogP value of 3.1 indicates that Ethyl 1-adamantanecarboxylate 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 1-adamantanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-adamantanecarboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 1-adamantanecarboxylate?
The CAS number of Ethyl 1-adamantanecarboxylate is 2094-73-7.
What is the molecular formula of Ethyl 1-adamantanecarboxylate?
The molecular formula of Ethyl 1-adamantanecarboxylate is C13H20O2.
What is the molecular weight of Ethyl 1-adamantanecarboxylate?
The molecular weight of Ethyl 1-adamantanecarboxylate is 208.15 g/mol.
Where can I buy Ethyl 1-adamantanecarboxylate?
You can request a quote for Ethyl 1-adamantanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-adamantanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-adamantanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.