2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone
TL;DR: 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone (CAS 862116-66-3) 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.
2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Also Known As: 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone, 2-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone, 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone, 2-[4-(2-furylmethyl)-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthy l)ethan-1-one, 2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethan-1-one
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 5.7232 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1409.6248 |
Chemical Identifiers
| CAS Number | 862116-66-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC5=CC=CC=C5C=C4 |
Product Overview
2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone (CAS 862116-66-3), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone
Property Insights of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone
The XLogP value of 5.7232 indicates that 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)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 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone. Following Lipinski's Rule of Five, 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)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 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
The CAS number of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone is 862116-66-3.
What is the molecular formula of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
The molecular formula of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone is C26H21N3O3S.
What is the molecular weight of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
The molecular weight of 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone is 455.13 g/mol.
Where can I buy 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
You can request a quote for 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.