(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate
TL;DR: (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate (CAS 877643-32-8) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate
Also Known As: F2527-0085, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl [1,1'-biphenyl]-4-carboxylate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl [1,1'-biphenyl]-4-carboxylate
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 3.15012 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 969.5696 |
Chemical Identifiers
| CAS Number | 877643-32-8 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SC |
Product Overview
(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate (CAS 877643-32-8), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate.
Chemical Property Profile of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate
Property Insights of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate
The XLogP value of 3.15012 indicates that (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate. Following Lipinski's Rule of Five, (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate has 0 hydrogen bond donor(s) and 6 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 (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate?
The CAS number of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate is 877643-32-8.
What is the molecular formula of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate?
The molecular formula of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate is C19H17N3O3S.
What is the molecular weight of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate?
The molecular weight of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate is 367.10 g/mol.
Where can I buy (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate?
You can request a quote for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-phenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.