![N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide structure](/static/products/7244/724450-33-3.webp)
N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide
TL;DR: N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide (CAS 724450-33-3) is a chemical compound with molecular formula C23H18BrFN4OS and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide
Also Known As: N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide, AQ-088/42013246, N-[4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide
| Molecular Formula | C23H18BrFN4OS |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 5.9283 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.03687 |
| Heavy Atoms | 31 |
| Complexity | 1209.241 |
Chemical Identifiers
| CAS Number | 724450-33-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F |
Product Overview
N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide (CAS 724450-33-3), with molecular formula C23H18BrFN4OS and molecular weight 496.04 g/mol. IUPAC: N-[4-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide.
Chemical Property Profile of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide
Property Insights of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide
The XLogP value of 5.9283 indicates that N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide has 1 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 N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide?
The CAS number of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide is 724450-33-3.
What is the molecular formula of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide?
The molecular formula of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide is C23H18BrFN4OS.
What is the molecular weight of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide?
The molecular weight of N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide is 496.04 g/mol.
Where can I buy N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide?
You can request a quote for N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.