![1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone structure](/static/products/7302/730249-88-4.webp)
1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone
TL;DR: 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone (CAS 730249-88-4) is a chemical compound with molecular formula C20H21BrClN3OS2 and molecular weight 497.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone, 1-(5-bromothiophen-2-yl)-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(5-bromothiophen-2-yl)-2-{[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C20H21BrClN3OS2 |
|---|---|
| Molecular Weight | 497.00 g/mol |
| LogP | 6.9778 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.9998 |
| Heavy Atoms | 28 |
| Complexity | 923.93616 |
Chemical Identifiers
| CAS Number | 730249-88-4 |
|---|---|
| SMILES | CCCCCCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC=C(C=C3)Cl |
Product Overview
1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone (CAS 730249-88-4), with molecular formula C20H21BrClN3OS2 and molecular weight 497.00 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone
Property Insights of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone
The XLogP value of 6.9778 indicates that 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-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 47.78 Ų, 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-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-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-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-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone?
The CAS number of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone is 730249-88-4.
What is the molecular formula of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone?
The molecular formula of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone is C20H21BrClN3OS2.
What is the molecular weight of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone?
The molecular weight of 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone is 497.00 g/mol.
Where can I buy 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone?
You can request a quote for 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-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-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-thienyl)-2-[[5-(4-chlorophenyl)-4-hexyl-4H-1,2,4-triazol-3-yl]thio]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.