2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone
TL;DR: 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone (CAS 738604-79-0) is a chemical compound with molecular formula C21H15BrN4OS and molecular weight 450.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C21H15BrN4OS |
|---|---|
| Molecular Weight | 450.01 g/mol |
| LogP | 5.0668 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.01498 |
| Heavy Atoms | 28 |
| Complexity | 1082.6158 |
Chemical Identifiers
| CAS Number | 738604-79-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone (CAS 738604-79-0), with molecular formula C21H15BrN4OS and molecular weight 450.01 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone
Property Insights of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone
The XLogP value of 5.0668 indicates that 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone 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-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone 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-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
The CAS number of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is 738604-79-0.
What is the molecular formula of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
The molecular formula of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is C21H15BrN4OS.
What is the molecular weight of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
The molecular weight of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone is 450.01 g/mol.
Where can I buy 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
You can request a quote for 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone 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-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.