![1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one structure](/static/products/862/862184-84-7.png)
1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
TL;DR: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one (CAS 862184-84-7) is a chemical compound with molecular formula C20H29N3OS and molecular weight 359.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-3,3-dimethylbutan -2-one, 1-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one, 1-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
| Molecular Formula | C20H29N3OS |
|---|---|
| Molecular Weight | 359.20 g/mol |
| LogP | 4.9698 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.20312 |
| Heavy Atoms | 25 |
| Complexity | 733.7822 |
Chemical Identifiers
| CAS Number | 862184-84-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one (CAS 862184-84-7), with molecular formula C20H29N3OS and molecular weight 359.20 g/mol. IUPAC: 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Property Insights of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
The XLogP value of 4.9698 indicates that 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 4 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-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The CAS number of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is 862184-84-7.
What is the molecular formula of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The molecular formula of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is C20H29N3OS.
What is the molecular weight of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The molecular weight of 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is 359.20 g/mol.
Where can I buy 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
You can request a quote for 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.