N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride
TL;DR: N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride (CAS 61876-43-5) is a chemical compound with molecular formula C18H25ClN2O2 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-adamantyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide;hydrochloride
Also Known As: N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride, Nicotinamide, N-(2-(1-adamantyl)ethyl)-, 1-oxide, hydrochloride, N-[2-(1-adamantyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide hydrochloride, 3-Pyridinecarboxamide, N-(2-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethyl)-, 1-oxide, hydrochloride
| Molecular Formula | C18H25ClN2O2 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.16046 |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 61876-43-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C[N+](=CC=C4)[O-].Cl |
| InChIKey | KRNZCJYOZSIMLI-UHFFFAOYSA-N |
Product Overview
N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride (CAS 61876-43-5), with molecular formula C18H25ClN2O2 and molecular weight 336.16 g/mol. IUPAC: N-[2-(1-adamantyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide;hydrochloride.
Chemical Property Profile of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride
Property Insights of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride
The XLogP value of 3.08 indicates that N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride has 2 hydrogen bond donor(s) and 2 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 N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride?
The CAS number of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride is 61876-43-5.
What is the molecular formula of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride?
The molecular formula of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride is C18H25ClN2O2.
What is the molecular weight of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride?
The molecular weight of N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride is 336.16 g/mol.
Where can I buy N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride?
You can request a quote for N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(1-Adamantyl)ethyl)nicotinamide 1-oxide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.