![2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide structure](/static/products/3526/352691-72-6.webp)
2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
TL;DR: 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide (CAS 352691-72-6) is a chemical compound with molecular formula C24H21BrFN5OS and molecular weight 525.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[1-(4-bromoanilino)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide, 2-[[5-[1-(4-bromoanilino)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide, 2-[(5-{1-[(4-bromophenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
| Molecular Formula | C24H21BrFN5OS |
|---|---|
| Molecular Weight | 525.06 g/mol |
| LogP | 6.0728 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.0634 |
| Heavy Atoms | 33 |
| Complexity | 1233.3553 |
Chemical Identifiers
| CAS Number | 352691-72-6 |
|---|---|
| SMILES | CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)F)NC4=CC=C(C=C4)Br |
Product Overview
2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide (CAS 352691-72-6), with molecular formula C24H21BrFN5OS and molecular weight 525.06 g/mol. IUPAC: 2-[[5-[1-(4-bromoanilino)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Property Insights of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
The XLogP value of 6.0728 indicates that 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide has 2 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-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide?
The CAS number of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide is 352691-72-6.
What is the molecular formula of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide?
The molecular formula of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide is C24H21BrFN5OS.
What is the molecular weight of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide?
The molecular weight of 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide is 525.06 g/mol.
Where can I buy 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide?
You can request a quote for 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.