N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide
TL;DR: N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide (CAS 756833-08-6) is a chemical compound with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-tert-butyl-2-methoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
Also Known As: starbld0007844, AB00725147-01, N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide, N-(5-tert-butyl-2-methoxyphenyl)-2-(methylsulfanyl)pyridine-3-carboxamide, N-(5-tert-butyl-2-methoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
| Molecular Formula | C18H22N2O2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 4.3619 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.1402 |
| Heavy Atoms | 23 |
| Complexity | 708.408 |
Chemical Identifiers
| CAS Number | 756833-08-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=C(N=CC=C2)SC |
Product Overview
N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide (CAS 756833-08-6), with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol. IUPAC: N-(5-tert-butyl-2-methoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide
Property Insights of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide
The XLogP value of 4.3619 indicates that N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide has 1 hydrogen bond donor(s) and 4 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-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide?
The CAS number of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide is 756833-08-6.
What is the molecular formula of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide?
The molecular formula of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide is C18H22N2O2S.
What is the molecular weight of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide?
The molecular weight of N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide is 330.14 g/mol.
Where can I buy N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide?
You can request a quote for N-(5-(tert-Butyl)-2-methoxyphenyl)-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-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(tert-Butyl)-2-methoxyphenyl)-2-(methylthio)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.