Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide
TL;DR: Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide (CAS 60026-34-8) is a chemical compound with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
Also Known As: Toxoflavin analog, 5-Benzofuranol,6,7-dimethyl, Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide, 1,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione, 1,3,6-trimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
| Molecular Formula | C8H9N5O3 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.07054 |
| Heavy Atoms | 16 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 60026-34-8 |
|---|---|
| SMILES | CC1=NN(C2=NC(=O)N(C(=O)C2=[N+]1[O-])C)C |
| InChIKey | QBKUQDKGVOGZRP-UHFFFAOYSA-N |
Product Overview
Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide (CAS 60026-34-8), with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol. IUPAC: 1,3,6-trimethyl-4-oxidopyrimido[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(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide
Property Insights of Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide
The XLogP value of -1.9 indicates that Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide. Following Lipinski's Rule of Five, Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide has 0 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 Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide?
The CAS number of Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide is 60026-34-8.
What is the molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide?
The molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide is C8H9N5O3.
What is the molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide?
The molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide is 223.07 g/mol.
Where can I buy Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide?
You can request a quote for Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 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(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.