![2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide structure](/static/products/7130/713095-99-9.webp)
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
TL;DR: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide (CAS 713095-99-9) is a chemical compound with molecular formula C22H25BrN4OS and molecular weight 472.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
Also Known As: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide, 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-bromo-2-(propan-2-yl)phenyl]acetamide, 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-yl-phenyl)acetamide
| Molecular Formula | C22H25BrN4OS |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | 5.5055 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.09326 |
| Heavy Atoms | 29 |
| Complexity | 972.19855 |
Chemical Identifiers
| CAS Number | 713095-99-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)CC3=CC=CC=C3 |
Product Overview
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide (CAS 713095-99-9), with molecular formula C22H25BrN4OS and molecular weight 472.09 g/mol. IUPAC: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
Property Insights of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide
The XLogP value of 5.5055 indicates that 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)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-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)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-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
The CAS number of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide is 713095-99-9.
What is the molecular formula of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
The molecular formula of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide is C22H25BrN4OS.
What is the molecular weight of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
The molecular weight of 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide is 472.09 g/mol.
Where can I buy 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
You can request a quote for 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)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-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.