![2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide structure](/static/products/868/868256-49-9.png)
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide
TL;DR: 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide (CAS 868256-49-9) is a chemical compound with molecular formula C27H28N4OS and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide
Also Known As: 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide, 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide, N-(4-Butylphenyl)-2-[[4-phenyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
| Molecular Formula | C27H28N4OS |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.9315 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.1984 |
| Heavy Atoms | 33 |
| Complexity | 1157.9728 |
Chemical Identifiers
| CAS Number | 868256-49-9 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide (CAS 868256-49-9), with molecular formula C27H28N4OS and molecular weight 456.20 g/mol. IUPAC: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide.
Chemical Property Profile of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide
Property Insights of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide
The XLogP value of 5.9315 indicates that 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)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, 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide 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 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide?
The CAS number of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide is 868256-49-9.
What is the molecular formula of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide?
The molecular formula of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide is C27H28N4OS.
What is the molecular weight of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide?
The molecular weight of 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide is 456.20 g/mol.
Where can I buy 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide?
You can request a quote for 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)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-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.