2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide
TL;DR: 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide (CAS 781618-85-7) is a chemical compound with molecular formula C15H13F3N2OS and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: starbld0002493, AB00727831-01, 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide, 2-(methylsulfanyl)-N-{[3-(trifluoromethyl)phenyl]methyl}pyridine-3-carboxamide, 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
| Molecular Formula | C15H13F3N2OS |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.7523 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.07007 |
| Heavy Atoms | 22 |
| Complexity | 673.8323 |
Chemical Identifiers
| CAS Number | 781618-85-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide (CAS 781618-85-7), with molecular formula C15H13F3N2OS and molecular weight 326.07 g/mol. IUPAC: 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide
Property Insights of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide
The XLogP value of 3.7523 indicates that 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)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, 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)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 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide?
The CAS number of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide is 781618-85-7.
What is the molecular formula of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide?
The molecular formula of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide is C15H13F3N2OS.
What is the molecular weight of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide?
The molecular weight of 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide is 326.07 g/mol.
Where can I buy 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide?
You can request a quote for 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-N-(3-(trifluoromethyl)benzyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.