![4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one structure](/static/products/2104/210411-25-9.webp)
4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one
TL;DR: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one (CAS 210411-25-9) is a chemical compound with molecular formula C20H19N5OS and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one
Also Known As: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one, 4-{[5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-1,2-dihydrophthalazin-1-one, Phthalazin-1(2H)-one, 4-(5-benzylthio-4-methyl-1,2,4-triazol-3-ylmethyl)-2-methyl-, 4-([5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl)-2-methyl-1(2H)-phthalazinone #, 4-{[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methylphthalazin-1(2H)-one
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 210411-25-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)CC3=NN(C(=O)C4=CC=CC=C43)C |
| InChIKey | BZUVUEKKXGQVLS-UHFFFAOYSA-N |
Product Overview
4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one (CAS 210411-25-9), with molecular formula C20H19N5OS and molecular weight 377.13 g/mol. IUPAC: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one.
Chemical Property Profile of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one
Property Insights of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one. Following Lipinski's Rule of Five, 4-[(5-benzylsulfanyl-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-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one?
The CAS number of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one is 210411-25-9.
What is the molecular formula of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one?
The molecular formula of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one is C20H19N5OS.
What is the molecular weight of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one?
The molecular weight of 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one is 377.13 g/mol.
Where can I buy 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one?
You can request a quote for 4-[(5-benzylsulfanyl-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-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-benzylsulfanyl-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.