Nicotinic acid, 1-adamantyl ester, N-oxide
TL;DR: Nicotinic acid, 1-adamantyl ester, N-oxide (CAS 64140-43-8) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-adamantyl 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: 1-Adamantyl nicotinate N-oxide, 3-(3-Adamantyloxycarbonyl)pyridine 1-oxide, Nicotinic acid, 1-adamantyl ester, N-oxide, 1-oxy-nicotinic acid adamantan-1-yl ester, 1-adamantyl 1-oxidopyridin-1-ium-3-carboxylate
Technical Specifications
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=C[N+](=CC=C4)[O-] |
| InChIKey | MSOWSFCJPDQGFX-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, 1-adamantyl ester, N-oxide
Property Insights of Nicotinic acid, 1-adamantyl ester, N-oxide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 1-adamantyl ester, N-oxide. With a topological polar surface area (TPSA) of 51.8 Ų, Nicotinic acid, 1-adamantyl ester, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 1-adamantyl ester, N-oxide 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 Nicotinic acid, 1-adamantyl ester, N-oxide?
The CAS number of Nicotinic acid, 1-adamantyl ester, N-oxide is 64140-43-8.
What is the molecular formula of Nicotinic acid, 1-adamantyl ester, N-oxide?
The molecular formula of Nicotinic acid, 1-adamantyl ester, N-oxide is C16H19NO3.
What is the molecular weight of Nicotinic acid, 1-adamantyl ester, N-oxide?
The molecular weight of Nicotinic acid, 1-adamantyl ester, N-oxide is 273.1365 g/mol.
Where can I buy Nicotinic acid, 1-adamantyl ester, N-oxide?
You can request a quote for Nicotinic acid, 1-adamantyl ester, N-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, 1-adamantyl ester, N-oxide?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, 1-adamantyl ester, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.