![N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide structure](/static/products/3918/391897-68-0.webp)
N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
TL;DR: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 391897-68-0) is a chemical compound with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0114, N-((4-(4-bromophenyl)-5-(butylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, N-{[4-(4-bromophenyl)-5-(butylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-{[4-(p-bromophenyl)-5-(butylthio)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C20H21BrN4OS |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 4.852 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.06195 |
| Heavy Atoms | 27 |
| Complexity | 880.7572 |
Chemical Identifiers
| CAS Number | 391897-68-0 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3 |
Product Overview
N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide (CAS 391897-68-0), with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Property Insights of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
The XLogP value of 4.852 indicates that N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide 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-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide 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-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
The CAS number of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is 391897-68-0.
What is the molecular formula of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular formula of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is C20H21BrN4OS.
What is the molecular weight of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
The molecular weight of N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide is 444.06 g/mol.
Where can I buy N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
You can request a quote for N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.