(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate
TL;DR: (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate (CAS 877643-30-6) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 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 naphthalene-2-carboxylate
Also Known As: AB00679273-01, F2527-0083, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl naphthalene-2-carboxylate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.63632 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 968.69714 |
Chemical Identifiers
| CAS Number | 877643-30-6 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=CC3=CC=CC=C3C=C2)SC |
Product Overview
(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate (CAS 877643-30-6), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl naphthalene-2-carboxylate.
Chemical Property Profile of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate
Property Insights of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate
The XLogP value of 2.63632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate. Following Lipinski's Rule of Five, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate 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-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate?
The CAS number of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate is 877643-30-6.
What is the molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate?
The molecular formula of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate is C17H15N3O3S.
What is the molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate?
The molecular weight of (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate is 341.08 g/mol.
Where can I buy (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate?
You can request a quote for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate 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-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.