Ethyl 3-(1-adamantyl)-3-oxopropanoate
TL;DR: Ethyl 3-(1-adamantyl)-3-oxopropanoate (CAS 19386-06-2) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-adamantyl)-3-oxopropanoate
Also Known As: Ethyl 3-(1-adamantyl)-3-oxopropanoate, ethyl 3-(adamantan-1-yl)-3-oxopropanoate, Ethyl 3-(1-adamantyl)-3-oxopropionate, ethyl 3-adamantanyl-3-oxopropanoate, 6542AD
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 19386-06-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | FOISHGXCIBGQJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(1-adamantyl)-3-oxopropanoate (CAS 19386-06-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: ethyl 3-(1-adamantyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(1-adamantyl)-3-oxopropanoate
Property Insights of Ethyl 3-(1-adamantyl)-3-oxopropanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1-adamantyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-(1-adamantyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1-adamantyl)-3-oxopropanoate 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 3-(1-adamantyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(1-adamantyl)-3-oxopropanoate is 19386-06-2.
What is the molecular formula of Ethyl 3-(1-adamantyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(1-adamantyl)-3-oxopropanoate is C15H22O3.
What is the molecular weight of Ethyl 3-(1-adamantyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(1-adamantyl)-3-oxopropanoate is 250.16 g/mol.
Where can I buy Ethyl 3-(1-adamantyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(1-adamantyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1-adamantyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1-adamantyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.