(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate
TL;DR: (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate (CAS 877642-70-1) is a chemical compound with molecular formula C15H17N3O5S and molecular weight 351.09 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 3,5-dimethoxybenzoate
Also Known As: F2527-0048, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3,5-dimethoxybenzoate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate
| Molecular Formula | C15H17N3O5S |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 1.50032 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0889 |
| Heavy Atoms | 24 |
| Complexity | 783.9319 |
Chemical Identifiers
| CAS Number | 877642-70-1 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=CC(=CC(=C2)OC)OC)SC |
Product Overview
(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate (CAS 877642-70-1), with molecular formula C15H17N3O5S and molecular weight 351.09 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate.
Chemical Property Profile of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate
Property Insights of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate
The XLogP value of 1.50032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate. The TPSA of 92.54 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 3,5-dimethoxybenzoate. Following Lipinski's Rule of Five, (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate has 0 hydrogen bond donor(s) and 8 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 3,5-dimethoxybenzoate?
The CAS number of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate is 877642-70-1.
What is the molecular formula of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate?
The molecular formula of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate is C15H17N3O5S.
What is the molecular weight of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate?
The molecular weight of (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate is 351.09 g/mol.
Where can I buy (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate?
You can request a quote for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate 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 3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.