![3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone structure](/static/products/4780/478063-61-5.webp)
3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone
TL;DR: 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone (CAS 478063-61-5) is a chemical compound with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
Also Known As: 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone, 3-[4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one, 3-(4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1-phenyl-1,4-dihydropyridazin-4-one
| Molecular Formula | C21H18FN5OS |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 3.9423 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1216 |
| Heavy Atoms | 29 |
| Complexity | 1171.9082 |
Chemical Identifiers
| CAS Number | 478063-61-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=NN(C=CC3=O)C4=CC=CC=C4 |
Product Overview
3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone (CAS 478063-61-5), with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol. IUPAC: 3-[4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one.
Chemical Property Profile of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone
Property Insights of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone
The XLogP value of 3.9423 indicates that 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone 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-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone. Following Lipinski's Rule of Five, 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone 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-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
The CAS number of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone is 478063-61-5.
What is the molecular formula of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
The molecular formula of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone is C21H18FN5OS.
What is the molecular weight of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
The molecular weight of 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone is 407.12 g/mol.
Where can I buy 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
You can request a quote for 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone 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-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.