![1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone structure](/static/products/838/838814-72-5.png)
1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
TL;DR: 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone (CAS 838814-72-5) is a chemical compound with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
Also Known As: 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone, 1-(3-(((5-(benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-methoxyphenyl)ethanone, 1-[3-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone, 1-[3-[(5-benzofuran-2-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 6.184 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1406.9963 |
Chemical Identifiers
| CAS Number | 838814-72-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4 |
Product Overview
1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone (CAS 838814-72-5), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone.
Chemical Property Profile of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
Property Insights of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
The XLogP value of 6.184 indicates that 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone. Following Lipinski's Rule of Five, 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone?
The CAS number of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone is 838814-72-5.
What is the molecular formula of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone?
The molecular formula of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone is C26H21N3O3S.
What is the molecular weight of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone?
The molecular weight of 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone is 455.13 g/mol.
Where can I buy 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone?
You can request a quote for 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.