![5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone structure](/static/products/4778/477852-97-4.webp)
5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone
TL;DR: 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone (CAS 477852-97-4) is a chemical compound with molecular formula C16H13F3N4OS and molecular weight 366.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
Also Known As: 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone, 11E-312S, 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one, 5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one, 5-(4-Methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-3-(trifluoromethyl)benzyl-2(1H)-pyridinone
| Molecular Formula | C16H13F3N4OS |
|---|---|
| Molecular Weight | 366.08 g/mol |
| LogP | 3.37349 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.0762 |
| Heavy Atoms | 25 |
| Complexity | 1032.5896 |
Chemical Identifiers
| CAS Number | 477852-97-4 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone (CAS 477852-97-4), with molecular formula C16H13F3N4OS and molecular weight 366.08 g/mol. IUPAC: 5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
Chemical Property Profile of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone
Property Insights of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone
The XLogP value of 3.37349 indicates that 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone 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 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone?
The CAS number of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone is 477852-97-4.
What is the molecular formula of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone?
The molecular formula of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone is C16H13F3N4OS.
What is the molecular weight of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone?
The molecular weight of 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone is 366.08 g/mol.
Where can I buy 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone?
You can request a quote for 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)benzyl]-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.