2-(Adamantan-1-yl)-2-oxoethyl acetate
TL;DR: 2-(Adamantan-1-yl)-2-oxoethyl acetate (CAS 33716-47-1) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantyl)-2-oxoethyl] acetate
Also Known As: (3-Adamantylcarbonyl)methyl acetate, aluminium-dichloride phenolate, [2-(1-adamantyl)-2-oxoethyl] acetate, (Adamantan-3-ylcarbonyl)methylacetate, [2-(1-adamantyl)-2-oxo-ethyl] acetate
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 33716-47-1 |
|---|---|
| SMILES | CC(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | AESZJBFFCVPITC-UHFFFAOYSA-N |
Product Overview
2-(Adamantan-1-yl)-2-oxoethyl acetate (CAS 33716-47-1), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: [2-(1-adamantyl)-2-oxoethyl] acetate.
Chemical Property Profile of 2-(Adamantan-1-yl)-2-oxoethyl acetate
Property Insights of 2-(Adamantan-1-yl)-2-oxoethyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Adamantan-1-yl)-2-oxoethyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(Adamantan-1-yl)-2-oxoethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Adamantan-1-yl)-2-oxoethyl 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 2-(Adamantan-1-yl)-2-oxoethyl acetate?
The CAS number of 2-(Adamantan-1-yl)-2-oxoethyl acetate is 33716-47-1.
What is the molecular formula of 2-(Adamantan-1-yl)-2-oxoethyl acetate?
The molecular formula of 2-(Adamantan-1-yl)-2-oxoethyl acetate is C14H20O3.
What is the molecular weight of 2-(Adamantan-1-yl)-2-oxoethyl acetate?
The molecular weight of 2-(Adamantan-1-yl)-2-oxoethyl acetate is 236.14 g/mol.
Where can I buy 2-(Adamantan-1-yl)-2-oxoethyl acetate?
You can request a quote for 2-(Adamantan-1-yl)-2-oxoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Adamantan-1-yl)-2-oxoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Adamantan-1-yl)-2-oxoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.