Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide
TL;DR: Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide (CAS 41661-91-0) is a chemical compound with molecular formula C13H11N5O3 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Also Known As: 3-Phenyl-fervenulin-4-oxid, Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide, 6,8-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione, 6,8-Dimethyl-4-oxo-3-phenyl-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione, RefChem:377799
| Molecular Formula | C13H11N5O3 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.08618 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 41661-91-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N=N2)C3=CC=CC=C3)[O-] |
| InChIKey | WWPIWUYDGLRTEG-UHFFFAOYSA-N |
Product Overview
Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide (CAS 41661-91-0), with molecular formula C13H11N5O3 and molecular weight 285.09 g/mol. IUPAC: 6,8-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione.
Chemical Property Profile of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide
Property Insights of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide
The XLogP value of -0.6 indicates that Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide. Following Lipinski's Rule of Five, Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide has 0 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 Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide?
The CAS number of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide is 41661-91-0.
What is the molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide?
The molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide is C13H11N5O3.
What is the molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide?
The molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide is 285.09 g/mol.
Where can I buy Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide?
You can request a quote for Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-3-phenyl-, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.