N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide
TL;DR: N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide (CAS 794576-63-9) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
Also Known As: starbld0002495, VU0334720-2, N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide, N-[(3,4-dimethoxyphenyl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide, N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.7507 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 661.58923 |
Chemical Identifiers
| CAS Number | 794576-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=O)C2=C(N=CC=C2)SC)OC |
Product Overview
N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide (CAS 794576-63-9), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide
Property Insights of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide
The XLogP value of 2.7507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide. Following Lipinski's Rule of Five, N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide has 1 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide?
The CAS number of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide is 794576-63-9.
What is the molecular formula of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide?
The molecular formula of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide is C16H18N2O3S.
What is the molecular weight of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide?
The molecular weight of N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide is 318.10 g/mol.
Where can I buy N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide?
You can request a quote for N-(3,4-Dimethoxybenzyl)-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-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dimethoxybenzyl)-2-(methylthio)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.