![3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one structure](/static/products/4780/478063-59-1.webp)
3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
TL;DR: 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one (CAS 478063-59-1) is a chemical compound with molecular formula C22H21N5OS and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
Also Known As: 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one, 3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone, 3-{4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone, 3-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1-phenyl-1,4-dihydropyridazin-4-one, 3-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-1,2,4-triazol-3-yl)-1-phenylpyridazin-4-one
| Molecular Formula | C22H21N5OS |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 4.11162 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.14667 |
| Heavy Atoms | 29 |
| Complexity | 1166.0393 |
Chemical Identifiers
| CAS Number | 478063-59-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NN(C=CC3=O)C4=CC=CC=C4 |
Product Overview
3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one (CAS 478063-59-1), with molecular formula C22H21N5OS and molecular weight 403.15 g/mol. IUPAC: 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one.
Chemical Property Profile of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
Property Insights of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
The XLogP value of 4.11162 indicates that 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one. Following Lipinski's Rule of Five, 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-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 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one?
The CAS number of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one is 478063-59-1.
What is the molecular formula of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one?
The molecular formula of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one is C22H21N5OS.
What is the molecular weight of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one?
The molecular weight of 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one is 403.15 g/mol.
Where can I buy 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one?
You can request a quote for 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.