![1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](/static/products/6902/690249-79-7.webp)
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
TL;DR: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 690249-79-7) is a chemical compound with molecular formula C31H36N4O3S and molecular weight 544.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, F1743-0058, 2-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone, 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-2-{[4-(PROP-2-EN-1-YL)-5-[(QUINOLIN-8-YLOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C31H36N4O3S |
|---|---|
| Molecular Weight | 544.25 g/mol |
| LogP | 6.8669 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.2508 |
| Heavy Atoms | 39 |
| Complexity | 1472.2805 |
Chemical Identifiers
| CAS Number | 690249-79-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC4=C3N=CC=C4 |
Product Overview
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 690249-79-7), with molecular formula C31H36N4O3S and molecular weight 544.25 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Property Insights of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
The XLogP value of 6.8669 indicates that 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 690249-79-7.
What is the molecular formula of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is C31H36N4O3S.
What is the molecular weight of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 544.25 g/mol.
Where can I buy 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-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-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.