4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
TL;DR: 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide (CAS 430449-38-0) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
Also Known As: ChemDiv3_002660, BAS 04796205, 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide, BRD-K90809738-001-01-7, 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 430449-38-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C)C(=O)N |
| InChIKey | MWMAPEHVMCKGKF-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide (CAS 430449-38-0), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
Chemical Property Profile of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
Property Insights of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
The XLogP value of 3.1 indicates that 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-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 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide?
The CAS number of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide is 430449-38-0.
What is the molecular formula of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide?
The molecular formula of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide is C17H18N2O2S.
What is the molecular weight of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide?
The molecular weight of 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide is 314.11 g/mol.
Where can I buy 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide?
You can request a quote for 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.