(3-Ethyl-1-adamantyl)acetic acid
TL;DR: (3-Ethyl-1-adamantyl)acetic acid (CAS 101821-81-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-ethyl-1-adamantyl)acetic acid
Also Known As: (3-ethyl-1-adamantyl)acetic acid, 2-(3-ethyl-1-adamantyl)acetic Acid, AKOS BC-0547, 2-(3-ETHYLADAMANTAN-1-YL)ACETIC ACID, 3-ethyladamantan-1-acetic acid
Technical Specifications
| Molecular Formula | C14H22O2 |
| Molecular Weight | 222.16199 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.16199 Da |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
| SMILES | CCC12CC3CC(C1)CC(C3)(C2)CC(=O)O |
| InChIKey | MRQRQHRHPXENRD-UHFFFAOYSA-N |
Chemical Property Profile of (3-Ethyl-1-adamantyl)acetic acid
Property Insights of (3-Ethyl-1-adamantyl)acetic acid
The XLogP value of 4.1 indicates that (3-Ethyl-1-adamantyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (3-Ethyl-1-adamantyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Ethyl-1-adamantyl)acetic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Ethyl-1-adamantyl)acetic acid?
The CAS number of (3-Ethyl-1-adamantyl)acetic acid is 101821-81-2.
What is the molecular formula of (3-Ethyl-1-adamantyl)acetic acid?
The molecular formula of (3-Ethyl-1-adamantyl)acetic acid is C14H22O2.
What is the molecular weight of (3-Ethyl-1-adamantyl)acetic acid?
The molecular weight of (3-Ethyl-1-adamantyl)acetic acid is 222.16199 g/mol.
Where can I buy (3-Ethyl-1-adamantyl)acetic acid?
You can request a quote for (3-Ethyl-1-adamantyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Ethyl-1-adamantyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (3-Ethyl-1-adamantyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.