![2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone structure](/static/products/3526/352685-94-0.webp)
2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
TL;DR: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone (CAS 352685-94-0) is a chemical compound with molecular formula C23H17BrN6OS and molecular weight 504.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
Also Known As: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone, 2-{[5-(1H-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone, 2-{[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-BROMOPHENYL)-1-ETHANONE, 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
| Molecular Formula | C23H17BrN6OS |
|---|---|
| Molecular Weight | 504.04 g/mol |
| LogP | 4.7978 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.0368 |
| Heavy Atoms | 32 |
| Complexity | 1380.9308 |
Chemical Identifiers
| CAS Number | 352685-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)CN4C5=CC=CC=C5N=N4 |
Product Overview
2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone (CAS 352685-94-0), with molecular formula C23H17BrN6OS and molecular weight 504.04 g/mol. IUPAC: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
Property Insights of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
The XLogP value of 4.7978 indicates that 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone. Following Lipinski's Rule of Five, 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone has 0 hydrogen bond donor(s) and 6 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-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone?
The CAS number of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone is 352685-94-0.
What is the molecular formula of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone?
The molecular formula of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone is C23H17BrN6OS.
What is the molecular weight of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone?
The molecular weight of 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone is 504.04 g/mol.
Where can I buy 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone?
You can request a quote for 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.