Isonicotinic acid, 2-(1-adamantyl)ethyl ester
TL;DR: Isonicotinic acid, 2-(1-adamantyl)ethyl ester (CAS 64140-42-7) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-adamantyl)ethyl pyridine-4-carboxylate
Also Known As: 1-Admantylethyl isonicotinate, ISONICOTINIC ACID, 2-(1-ADAMANTYL)ETHYL ESTER, 2-(1-adamantyl)ethyl pyridine-4-carboxylate, Isonicotinic acid 2-(1-adamantyl)ethyl ester, 4-Pyridinecarboxylic acid, 2-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethyl ester
Technical Specifications
| Molecular Formula | C18H23NO2 |
| Molecular Weight | 285.17288 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.17288 Da |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC=NC=C4 |
| InChIKey | VCUCWQUMMYGLLG-UHFFFAOYSA-N |
Chemical Property Profile of Isonicotinic acid, 2-(1-adamantyl)ethyl ester
Property Insights of Isonicotinic acid, 2-(1-adamantyl)ethyl ester
The XLogP value of 4.9 indicates that Isonicotinic acid, 2-(1-adamantyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Isonicotinic acid, 2-(1-adamantyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic acid, 2-(1-adamantyl)ethyl ester 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
What is the CAS number of Isonicotinic acid, 2-(1-adamantyl)ethyl ester?
The CAS number of Isonicotinic acid, 2-(1-adamantyl)ethyl ester is 64140-42-7.
What is the molecular formula of Isonicotinic acid, 2-(1-adamantyl)ethyl ester?
The molecular formula of Isonicotinic acid, 2-(1-adamantyl)ethyl ester is C18H23NO2.
What is the molecular weight of Isonicotinic acid, 2-(1-adamantyl)ethyl ester?
The molecular weight of Isonicotinic acid, 2-(1-adamantyl)ethyl ester is 285.17288 g/mol.
Where can I buy Isonicotinic acid, 2-(1-adamantyl)ethyl ester?
You can request a quote for Isonicotinic acid, 2-(1-adamantyl)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonicotinic acid, 2-(1-adamantyl)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Isonicotinic acid, 2-(1-adamantyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.