![3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one structure](/static/products/861/861644-61-3.png)
3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
TL;DR: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one (CAS 861644-61-3) is a chemical compound with molecular formula C22H25N3OS and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
Also Known As: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one, 3,3-dimethyl-1-((5-(m-tolyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)butan-2-one, 3,3-dimethyl-1-[4-(4-methylphenyl)-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)] butan-2-one, 3,3-dimethyl-1-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
| Molecular Formula | C22H25N3OS |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 5.25844 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.17184 |
| Heavy Atoms | 27 |
| Complexity | 952.4344 |
Chemical Identifiers
| CAS Number | 861644-61-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CC=CC(=C3)C |
Product Overview
3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one (CAS 861644-61-3), with molecular formula C22H25N3OS and molecular weight 379.17 g/mol. IUPAC: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one.
Chemical Property Profile of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
Property Insights of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
The XLogP value of 5.25844 indicates that 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-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, 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one?
The CAS number of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one is 861644-61-3.
What is the molecular formula of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one?
The molecular formula of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one is C22H25N3OS.
What is the molecular weight of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one?
The molecular weight of 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one is 379.17 g/mol.
Where can I buy 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one?
You can request a quote for 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.