![2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide structure](/static/products/4826/482646-13-9.webp)
2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide
TL;DR: 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide (CAS 482646-13-9) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A2ti-2, EX-A7870, BAS 02137402, 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.73212 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 864.52246 |
Chemical Identifiers
| CAS Number | 482646-13-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N |
Product Overview
2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide (CAS 482646-13-9), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide
Property Insights of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide
The XLogP value of 2.73212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide. Following Lipinski's Rule of Five, 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}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-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide?
The CAS number of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide is 482646-13-9.
What is the molecular formula of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide?
The molecular formula of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide is C18H18N4O2S.
What is the molecular weight of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide?
The molecular weight of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide is 354.12 g/mol.
Where can I buy 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide?
You can request a quote for 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}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-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.