1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone
TL;DR: 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone (CAS 129544-93-0) is a chemical compound with molecular formula C23H18BrN3O2S and molecular weight 479.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-bromophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-BR-PH)-2-((5-(PHENOXYMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ETHANONE, 1-(4-Bromophenyl)-2-((5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-bromophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}ethanone
| Molecular Formula | C23H18BrN3O2S |
|---|---|
| Molecular Weight | 479.03 g/mol |
| LogP | 5.5838 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.0303 |
| Heavy Atoms | 30 |
| Complexity | 1116.4205 |
Chemical Identifiers
| CAS Number | 129544-93-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)COC4=CC=CC=C4 |
Product Overview
1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone (CAS 129544-93-0), with molecular formula C23H18BrN3O2S and molecular weight 479.03 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone
Property Insights of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone
The XLogP value of 5.5838 indicates that 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)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 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone?
The CAS number of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone is 129544-93-0.
What is the molecular formula of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone?
The molecular formula of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone is C23H18BrN3O2S.
What is the molecular weight of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone?
The molecular weight of 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone is 479.03 g/mol.
Where can I buy 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone?
You can request a quote for 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-BR-PH)-2-((5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-YL)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.