Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-
TL;DR: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- (CAS 113458-71-2) is a chemical compound with molecular formula C17H17N7O4 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-4a-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-, 3-Hydroxy-6,8-dimethyl-4a-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 6,8-dimethyl-4a-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, RefChem:377790
| Molecular Formula | C17H17N7O4 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | -0.18058 |
| Topological Polar Surface Area | 131.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.13422 |
| Heavy Atoms | 28 |
| Complexity | 1100.4543 |
Chemical Identifiers
| CAS Number | 113458-71-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C34C(=NNC(=O)N3)N(C(=O)N(C4=O)C)C |
Product Overview
Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- (CAS 113458-71-2), with molecular formula C17H17N7O4 and molecular weight 383.13 g/mol. IUPAC: 6,8-dimethyl-4a-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione.
Chemical Property Profile of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-
Property Insights of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-
The XLogP value of -0.18058 indicates that Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-. Following Lipinski's Rule of Five, Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- has 3 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-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-?
The CAS number of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- is 113458-71-2.
What is the molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-?
The molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- is C17H17N7O4.
What is the molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-?
The molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- is 383.13 g/mol.
Where can I buy Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-?
You can request a quote for Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- 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-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.