Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-
TL;DR: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- (CAS 113458-63-2) is a chemical compound with molecular formula C15H14N6O3 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-(1H-indol-3-yl)-6,8-dimethyl-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-6,8-dimethyl-4a-(1H-indol-3-yl)-, 4a-(1H-indol-3-yl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, 3-Hydroxy-4a-(1H-indol-3-yl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, BRN 5639196, RefChem:377794
| Molecular Formula | C15H14N6O3 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 0.5133 |
| Topological Polar Surface Area | 109.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.11273 |
| Heavy Atoms | 24 |
| Complexity | 932.18726 |
Chemical Identifiers
| CAS Number | 113458-63-2 |
|---|---|
| SMILES | CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CNC4=CC=CC=C43 |
Product Overview
Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- (CAS 113458-63-2), with molecular formula C15H14N6O3 and molecular weight 326.11 g/mol. IUPAC: 4a-(1H-indol-3-yl)-6,8-dimethyl-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-6,8-dimethyl-4a-(1H-indol-3-yl)-
Property Insights of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-
The XLogP value of 0.5133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-. The TPSA of 109.9 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-6,8-dimethyl-4a-(1H-indol-3-yl)-. Following Lipinski's Rule of Five, Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- has 3 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-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-?
The CAS number of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- is 113458-63-2.
What is the molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-?
The molecular formula of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- is C15H14N6O3.
What is the molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-?
The molecular weight of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- is 326.11 g/mol.
Where can I buy Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)-?
You can request a quote for Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-6,8-dimethyl-4a-(1H-indol-3-yl)- 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-6,8-dimethyl-4a-(1H-indol-3-yl)-?
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-6,8-dimethyl-4a-(1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.