2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone
TL;DR: 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone (CAS 307325-56-0) is a chemical compound with molecular formula C28H20BrN3OS and molecular weight 525.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone
Also Known As: 2-((5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1,2-diphenylethanone, UPCMLD0ENAT0505-4068:001, F0486-2362, 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone, 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone
| Molecular Formula | C28H20BrN3OS |
|---|---|
| Molecular Weight | 525.05 g/mol |
| LogP | 7.4131 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.051 |
| Heavy Atoms | 34 |
| Complexity | 1405.8301 |
Chemical Identifiers
| CAS Number | 307325-56-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)Br |
Product Overview
2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone (CAS 307325-56-0), with molecular formula C28H20BrN3OS and molecular weight 525.05 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone.
Chemical Property Profile of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone
Property Insights of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone
The XLogP value of 7.4131 indicates that 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone?
The CAS number of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone is 307325-56-0.
What is the molecular formula of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone?
The molecular formula of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone is C28H20BrN3OS.
What is the molecular weight of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone?
The molecular weight of 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone is 525.05 g/mol.
Where can I buy 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone?
You can request a quote for 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)-1,2-diphenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.