![2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide structure](/static/products/100/1004727-52-9.png)
2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide
TL;DR: 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide (CAS 1004727-52-9) is a chemical compound with molecular formula C18H26N4O2S and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
Also Known As: 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide, 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide, 2-{[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
| Molecular Formula | C18H26N4O2S |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | 3.3705 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.17764 |
| Heavy Atoms | 25 |
| Complexity | 682.8846 |
Chemical Identifiers
| CAS Number | 1004727-52-9 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)NC(C)C)C2=CC=C(C=C2)OC |
Product Overview
2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide (CAS 1004727-52-9), with molecular formula C18H26N4O2S and molecular weight 362.18 g/mol. IUPAC: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide.
Chemical Property Profile of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide
Property Insights of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide
The XLogP value of 3.3705 indicates that 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide. Following Lipinski's Rule of Five, 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide has 1 hydrogen bond donor(s) and 5 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 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide?
The CAS number of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide is 1004727-52-9.
What is the molecular formula of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide?
The molecular formula of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide is C18H26N4O2S.
What is the molecular weight of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide?
The molecular weight of 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide is 362.18 g/mol.
Where can I buy 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide?
You can request a quote for 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Butyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1-methylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.