N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide
TL;DR: N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide (CAS 227327-52-8) is a chemical compound with molecular formula C18H24N2OS and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide
Also Known As: starbld0001399, N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide, N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide, N-[(adamantan-1-yl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide
| Molecular Formula | C18H24N2OS |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 3.7497 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.16095 |
| Heavy Atoms | 22 |
| Complexity | 550.9206 |
Chemical Identifiers
| CAS Number | 227327-52-8 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3 |
Product Overview
N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide (CAS 227327-52-8), with molecular formula C18H24N2OS and molecular weight 316.16 g/mol. IUPAC: N-(1-adamantylmethyl)-2-methylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide
Property Insights of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide
The XLogP value of 3.7497 indicates that N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide has 1 hydrogen bond donor(s) and 3 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-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide?
The CAS number of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide is 227327-52-8.
What is the molecular formula of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide?
The molecular formula of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide is C18H24N2OS.
What is the molecular weight of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide?
The molecular weight of N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide is 316.16 g/mol.
Where can I buy N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide?
You can request a quote for N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.