![4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one structure](/static/products/869/869067-99-2.png)
4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
TL;DR: 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one (CAS 869067-99-2) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
Also Known As: AB00586265-02, 4-amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one, F1847-0088, 4-amino-3-((2,5-dimethylbenzyl)thio)-6-methyl-1,2,4-triazin-5(4H)-one, 4-amino-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6-methyl-4,5-dihydro-1,2,4-triazin-5-one
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 1.56966 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 666.17816 |
Chemical Identifiers
| CAS Number | 869067-99-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(C(=O)N2N)C |
Product Overview
4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one (CAS 869067-99-2), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: 4-amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
Property Insights of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
The XLogP value of 1.56966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one has 1 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-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
The CAS number of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one is 869067-99-2.
What is the molecular formula of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
The molecular formula of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one is C13H16N4OS.
What is the molecular weight of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
The molecular weight of 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one is 276.10 g/mol.
Where can I buy 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
You can request a quote for 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.