![3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone structure](/static/products/4780/478063-62-6.webp)
3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone
TL;DR: 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone (CAS 478063-62-6) is a chemical compound with molecular formula C21H17Cl2N5OS and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
Also Known As: 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone, 3-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one, 3-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1,4-dihydropyridazin-4-one
| Molecular Formula | C21H17Cl2N5OS |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 5.11 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0531 |
| Heavy Atoms | 30 |
| Complexity | 1219.6328 |
Chemical Identifiers
| CAS Number | 478063-62-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4 |
Product Overview
3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone (CAS 478063-62-6), with molecular formula C21H17Cl2N5OS and molecular weight 457.05 g/mol. IUPAC: 3-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one.
Chemical Property Profile of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone
Property Insights of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone
The XLogP value of 5.11 indicates that 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-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-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone. Following Lipinski's Rule of Five, 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
The CAS number of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone is 478063-62-6.
What is the molecular formula of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
The molecular formula of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone is C21H17Cl2N5OS.
What is the molecular weight of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
The molecular weight of 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone is 457.05 g/mol.
Where can I buy 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
You can request a quote for 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-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-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-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.