![2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/899/899587-09-8.png)
2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 899587-09-8) is a chemical compound with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C15H20N4O2S |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 2.07124 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.1307 |
| Heavy Atoms | 22 |
| Complexity | 669.5572 |
Chemical Identifiers
| CAS Number | 899587-09-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N)COC2=CC(=C(C=C2)C)C |
Product Overview
2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 899587-09-8), with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol. IUPAC: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 2.07124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-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-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-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-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 899587-09-8.
What is the molecular formula of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C15H20N4O2S.
What is the molecular weight of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 320.13 g/mol.
Where can I buy 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-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-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.