![N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide structure](/static/products/496/496796-41-9.png)
N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
TL;DR: N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide (CAS 496796-41-9) is a chemical compound with molecular formula C18H17BrN4OS and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide, N-(3-(5-((4-bromobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-(3-{5-[(4-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
| Molecular Formula | C18H17BrN4OS |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 4.4953 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.03064 |
| Heavy Atoms | 25 |
| Complexity | 892.3467 |
Chemical Identifiers
| CAS Number | 496796-41-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Br |
Product Overview
N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide (CAS 496796-41-9), with molecular formula C18H17BrN4OS and molecular weight 416.03 g/mol. IUPAC: N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Property Insights of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
The XLogP value of 4.4953 indicates that N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide 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-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
The CAS number of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide is 496796-41-9.
What is the molecular formula of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
The molecular formula of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide is C18H17BrN4OS.
What is the molecular weight of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
The molecular weight of N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide is 416.03 g/mol.
Where can I buy N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
You can request a quote for N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.