![4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one structure](/static/products/2104/210411-32-8.webp)
4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one
TL;DR: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one (CAS 210411-32-8) is a chemical compound with molecular formula C20H17Cl2N5OS and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one
Also Known As: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one, BRD-K44191135-001-01-6, 4-({5-[(2,4-dichlorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-methyl-1,2-dihydrophthalazin-1-one, 4-[(5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1(2H)-one, CID 2821838
| Molecular Formula | C20H17Cl2N5OS |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 4.2519 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.0531 |
| Heavy Atoms | 29 |
| Complexity | 1267.6943 |
Chemical Identifiers
| CAS Number | 210411-32-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)CC3=NN(C(=O)C4=CC=CC=C43)C |
Product Overview
4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one (CAS 210411-32-8), with molecular formula C20H17Cl2N5OS and molecular weight 445.05 g/mol. IUPAC: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one
Property Insights of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one
The XLogP value of 4.2519 indicates that 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-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 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one. Following Lipinski's Rule of Five, 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-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 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one?
The CAS number of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one is 210411-32-8.
What is the molecular formula of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one?
The molecular formula of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one is C20H17Cl2N5OS.
What is the molecular weight of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one?
The molecular weight of 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one is 445.05 g/mol.
Where can I buy 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one?
You can request a quote for 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.