![1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/6773/677330-92-6.webp)
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 677330-92-6) is a chemical compound with molecular formula C15H13N3O3S2 and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(3,4-dihydroxyphenyl)-2-(4-methyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))etha n-1-one, 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone, 1-(3,4-dihydroxyphenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone, 1-(3,4-Dihydroxy-phenyl)-2-(4-methyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
| Molecular Formula | C15H13N3O3S2 |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 2.9298 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.03983 |
| Heavy Atoms | 23 |
| Complexity | 843.7816 |
Chemical Identifiers
| CAS Number | 677330-92-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CS3 |
Product Overview
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 677330-92-6), with molecular formula C15H13N3O3S2 and molecular weight 347.04 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 2.9298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone has 2 hydrogen bond donor(s) and 7 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 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 677330-92-6.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is C15H13N3O3S2.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 347.04 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.