N-(4-Methylbenzyl)-2-(methylthio)nicotinamide
TL;DR: N-(4-Methylbenzyl)-2-(methylthio)nicotinamide (CAS 794563-94-3) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
Also Known As: starbld0008389, N-(4-Methylbenzyl)-2-(methylthio)nicotinamide, N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide, N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.04192 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 566.61316 |
Chemical Identifiers
| CAS Number | 794563-94-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC |
Product Overview
N-(4-Methylbenzyl)-2-(methylthio)nicotinamide (CAS 794563-94-3), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide
Property Insights of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide
The XLogP value of 3.04192 indicates that N-(4-Methylbenzyl)-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-(4-Methylbenzyl)-2-(methylthio)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Methylbenzyl)-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-(4-Methylbenzyl)-2-(methylthio)nicotinamide?
The CAS number of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide is 794563-94-3.
What is the molecular formula of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide?
The molecular formula of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide is C15H16N2OS.
What is the molecular weight of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide?
The molecular weight of N-(4-Methylbenzyl)-2-(methylthio)nicotinamide is 272.10 g/mol.
Where can I buy N-(4-Methylbenzyl)-2-(methylthio)nicotinamide?
You can request a quote for N-(4-Methylbenzyl)-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-(4-Methylbenzyl)-2-(methylthio)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methylbenzyl)-2-(methylthio)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.