1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 714949-45-8) is a chemical compound with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(3,4-dihydroxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(3,4-dihydroxyphenyl)-2-[4-(2-furylmethyl)-5-phenyl(1,2,4-triazol-3-ylthio)] ethan-1-one, 1-(3,4-dihydroxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(3,4-dihydroxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C21H17N3O4S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 3.9726 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.09396 |
| Heavy Atoms | 29 |
| Complexity | 1124.3059 |
Chemical Identifiers
| CAS Number | 714949-45-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC(=C(C=C4)O)O |
Product Overview
1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 714949-45-8), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 3.9726 indicates that 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)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-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 714949-45-8.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is C21H17N3O4S.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone is 407.09 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)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-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-2-((4-(furan-2-ylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.