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1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
TL;DR: 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 577964-40-0) is a chemical compound with molecular formula C21H17N5OS and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-naphthalen-2-yl-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(2-naphthyl)-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))ethan-1 -one, 1-naphthalen-2-yl-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 2-((4-allyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone, 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C21H17N5OS |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 4.0493 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.1154 |
| Heavy Atoms | 28 |
| Complexity | 1139.972 |
Chemical Identifiers
| CAS Number | 577964-40-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC=CN=C4 |
Product Overview
1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 577964-40-0), with molecular formula C21H17N5OS and molecular weight 387.12 g/mol. IUPAC: 1-naphthalen-2-yl-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Property Insights of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
The XLogP value of 4.0493 indicates that 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone. Following Lipinski's Rule of Five, 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone has 0 hydrogen bond donor(s) and 6 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-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The CAS number of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 577964-40-0.
What is the molecular formula of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular formula of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is C21H17N5OS.
What is the molecular weight of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular weight of 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 387.12 g/mol.
Where can I buy 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
You can request a quote for 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-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-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(naphthalen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.