2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone
TL;DR: 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone (CAS 477330-64-6) is a chemical compound with molecular formula C25H17BrN4OS and molecular weight 500.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone, 2-((4-(4-BR-PH)5-(4-PYRIDINYL)4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(2-NAPHTHYL)ETHANONE, 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone, 2-[4-(4-bromophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)etha n-1-one, 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone
| Molecular Formula | C25H17BrN4OS |
|---|---|
| Molecular Weight | 500.03 g/mol |
| LogP | 6.22 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.03064 |
| Heavy Atoms | 32 |
| Complexity | 1400.9454 |
Chemical Identifiers
| CAS Number | 477330-64-6 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5 |
Product Overview
2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone (CAS 477330-64-6), with molecular formula C25H17BrN4OS and molecular weight 500.03 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone
Property Insights of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone
The XLogP value of 6.22 indicates that 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone. Following Lipinski's Rule of Five, 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone?
The CAS number of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone is 477330-64-6.
What is the molecular formula of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone?
The molecular formula of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone is C25H17BrN4OS.
What is the molecular weight of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone?
The molecular weight of 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone is 500.03 g/mol.
Where can I buy 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone?
You can request a quote for 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(2-naphthyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.