5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one
TL;DR: 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one (CAS 6331-19-7) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis(4-methoxyphenyl)-2H-1,2,4-triazin-3-one
Also Known As: 5,6-bis(4-methoxyphenyl)-2H-1,2,4-triazin-3-one, 5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one, 5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-ol, bis(4-methoxyphenyl)-1,2,4-triazin-3-ol, 5,6-bis-(4-methoxy-phenyl)-2H-[1,2,4]triazin-3-one
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 6331-19-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=C(C=C3)OC |
| InChIKey | NDTQIXGIWFMLRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one (CAS 6331-19-7), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: 5,6-bis(4-methoxyphenyl)-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one
Property Insights of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one. Following Lipinski's Rule of Five, 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one has 1 hydrogen bond donor(s) and 4 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 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one?
The CAS number of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one is 6331-19-7.
What is the molecular formula of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one?
The molecular formula of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one is C17H15N3O3.
What is the molecular weight of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one?
The molecular weight of 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one is 309.11 g/mol.
Where can I buy 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one?
You can request a quote for 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.