![2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide structure](/static/products/100/1001611-13-7.png)
2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
TL;DR: 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide (CAS 1001611-13-7) is a chemical compound with molecular formula C16H20ClN5OS and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
Also Known As: 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide, 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide, 2-{[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
| Molecular Formula | C16H20ClN5OS |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 2.829 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.1077 |
| Heavy Atoms | 24 |
| Complexity | 745.81903 |
Chemical Identifiers
| CAS Number | 1001611-13-7 |
|---|---|
| SMILES | CCN(CC(=C)C)C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Cl |
Product Overview
2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide (CAS 1001611-13-7), with molecular formula C16H20ClN5OS and molecular weight 365.11 g/mol. IUPAC: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
Chemical Property Profile of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
Property Insights of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
The XLogP value of 2.829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide. Following Lipinski's Rule of Five, 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)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-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide?
The CAS number of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide is 1001611-13-7.
What is the molecular formula of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide?
The molecular formula of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide is C16H20ClN5OS.
What is the molecular weight of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide?
The molecular weight of 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide is 365.11 g/mol.
Where can I buy 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide?
You can request a quote for 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)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-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.