Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride
TL;DR: Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride (CAS 61876-35-5) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-1-oxidopyridin-1-ium-4-carboxamide;hydrochloride
Also Known As: N-(1-Adamantyl)nicotinamide 1-oxide hydrochloride, ISONICOTINAMIDE, N-(1-ADAMANTYL)-, 1-OXIDE, HYDROCHLORIDE, N-(1-adamantyl)-1-oxidopyridin-1-ium-4-carboxamide hydrochloride, 4-Pyridinecarboxamide, N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1-oxide, monohydrochloride, N-(Adamantan-1-yl)-1-oxo-1lambda~5~-pyridine-4-carboxamide--hydrogen chloride (1/1)
| Molecular Formula | C16H21ClN2O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.44 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.12915 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 61876-35-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=[N+](C=C4)[O-].Cl |
| InChIKey | FMTARHPSVMMXJE-UHFFFAOYSA-N |
Product Overview
Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride (CAS 61876-35-5), with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol. IUPAC: N-(1-adamantyl)-1-oxidopyridin-1-ium-4-carboxamide;hydrochloride.
Chemical Property Profile of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride
Property Insights of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride
The XLogP value of 2.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride. With a topological polar surface area (TPSA) of 54.6 Ų, Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinamide, N-(1-adamantyl)-, 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 Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride?
The CAS number of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride is 61876-35-5.
What is the molecular formula of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride?
The molecular formula of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride is C16H21ClN2O2.
What is the molecular weight of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride?
The molecular weight of Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride is 308.13 g/mol.
Where can I buy Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride?
You can request a quote for Isonicotinamide, N-(1-adamantyl)-, 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 Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinamide, N-(1-adamantyl)-, 1-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.