![N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/899/899398-27-7.png)
N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 899398-27-7) is a chemical compound with molecular formula C26H27N5OS and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(butan-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[4-(4-methylphenyl)-5-(2-pyridyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methylpropy l)phenyl]acetamide, N-(4-(sec-butyl)phenyl)-2-((5-(pyridin-2-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C26H27N5OS |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | 5.88202 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.19363 |
| Heavy Atoms | 33 |
| Complexity | 1203.9331 |
Chemical Identifiers
| CAS Number | 899398-27-7 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=N4 |
Product Overview
N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 899398-27-7), with molecular formula C26H27N5OS and molecular weight 457.19 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 5.88202 indicates that N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 5 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-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 899398-27-7.
What is the molecular formula of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C26H27N5OS.
What is the molecular weight of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 457.19 g/mol.
Where can I buy N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.