![2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide structure](/static/products/864/864935-77-3.png)
2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
TL;DR: 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide (CAS 864935-77-3) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-[[5-(2-benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide, 2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.317 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1022.7944 |
Chemical Identifiers
| CAS Number | 864935-77-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)C3=CC4=CC=CC=C4O3 |
Product Overview
2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide (CAS 864935-77-3), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
Property Insights of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
The XLogP value of 3.317 indicates that 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide. Following Lipinski's Rule of Five, 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]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-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide?
The CAS number of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide is 864935-77-3.
What is the molecular formula of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide?
The molecular formula of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide is C19H16N4O2S.
What is the molecular weight of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide?
The molecular weight of 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide is 364.10 g/mol.
Where can I buy 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide?
You can request a quote for 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]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-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.