![2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/899/899589-07-2.png)
2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 899589-07-2) is a chemical compound with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{[5-(4-chlorobenzyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[[5-[(4-chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{5-[(4-chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C13H15ClN4OS |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 2.1196 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.06552 |
| Heavy Atoms | 20 |
| Complexity | 596.91864 |
Chemical Identifiers
| CAS Number | 899589-07-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N)CC2=CC=C(C=C2)Cl |
Product Overview
2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 899589-07-2), with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 2.1196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 4 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-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 899589-07-2.
What is the molecular formula of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C13H15ClN4OS.
What is the molecular weight of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 310.07 g/mol.
Where can I buy 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-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 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[(4-Chlorophenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.