![2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile structure](/static/products/6902/690249-88-8.webp)
2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile
TL;DR: 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile (CAS 690249-88-8) is a chemical compound with molecular formula C17H15N5OS and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Also Known As: F1743-0068, 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile, 2-[4-prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile, 2-{[4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile, 2-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile
| Molecular Formula | C17H15N5OS |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 3.20698 |
| Topological Polar Surface Area | 76.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.09973 |
| Heavy Atoms | 24 |
| Complexity | 894.12744 |
Chemical Identifiers
| CAS Number | 690249-88-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC#N)COC2=CC=CC3=C2N=CC=C3 |
Product Overview
2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile (CAS 690249-88-8), with molecular formula C17H15N5OS and molecular weight 337.10 g/mol. IUPAC: 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile
Property Insights of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile
The XLogP value of 3.20698 indicates that 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile. Following Lipinski's Rule of Five, 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile 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 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile?
The CAS number of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile is 690249-88-8.
What is the molecular formula of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile?
The molecular formula of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile is C17H15N5OS.
What is the molecular weight of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile?
The molecular weight of 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile is 337.10 g/mol.
Where can I buy 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile?
You can request a quote for 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.