N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride
TL;DR: N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride (CAS 61876-38-8) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-1-oxidopyridin-1-ium-4-carboxamide;hydrochloride
Also Known As: N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride, ISONICOTINAMIDE, N-(1-ADAMANTYLMETHYL)-, 1-OXIDE, HYDROCHLORIDE, N-(1-adamantylmethyl)-1-oxidopyridin-1-ium-4-carboxamide hydrochloride
| Molecular Formula | C17H23ClN2O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1448 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 61876-38-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=[N+](C=C4)[O-].Cl |
| InChIKey | ZNGPQXKSCHGWML-UHFFFAOYSA-N |
Product Overview
N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride (CAS 61876-38-8), with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol. IUPAC: N-(1-adamantylmethyl)-1-oxidopyridin-1-ium-4-carboxamide;hydrochloride.
Chemical Property Profile of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride
Property Insights of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride. With a topological polar surface area (TPSA) of 54.6 Ų, N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Adamantylmethyl)isonicotinamide 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-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride?
The CAS number of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride is 61876-38-8.
What is the molecular formula of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride?
The molecular formula of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride is C17H23ClN2O2.
What is the molecular weight of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride?
The molecular weight of N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride is 322.14 g/mol.
Where can I buy N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride?
You can request a quote for N-(1-Adamantylmethyl)isonicotinamide 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-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Adamantylmethyl)isonicotinamide 1-oxide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.