![2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/899/899590-00-2.png)
2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 899590-00-2) is a chemical compound with molecular formula C12H13ClN4O2S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetamide
| Molecular Formula | C12H13ClN4O2S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 1.7215 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.04477 |
| Heavy Atoms | 20 |
| Complexity | 644.3827 |
Chemical Identifiers
| CAS Number | 899590-00-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N)C2=C(C=CC(=C2)Cl)OC |
Product Overview
2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 899590-00-2), with molecular formula C12H13ClN4O2S and molecular weight 312.04 g/mol. IUPAC: 2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 1.7215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]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-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 899590-00-2.
What is the molecular formula of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C12H13ClN4O2S.
What is the molecular weight of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 312.04 g/mol.
Where can I buy 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-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-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(5-Chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.