![1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one structure](/static/products/454/454224-01-2.png)
1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one
TL;DR: 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one (CAS 454224-01-2) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.9129 |
| Topological Polar Surface Area | 55.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 890.1347 |
Chemical Identifiers
| CAS Number | 454224-01-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one (CAS 454224-01-2), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one
Property Insights of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one
The XLogP value of 4.9129 indicates that 1-[(5,6-Diphenyl-1,2,4-triazin-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 55.74 Ų, 1-[(5,6-Diphenyl-1,2,4-triazin-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-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 5 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-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one?
The CAS number of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one is 454224-01-2.
What is the molecular formula of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one?
The molecular formula of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one is C21H21N3OS.
What is the molecular weight of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one?
The molecular weight of 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one is 363.14 g/mol.
Where can I buy 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one?
You can request a quote for 1-[(5,6-Diphenyl-1,2,4-triazin-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-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.