![4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione structure](/static/products/118/118214-96-3.png)
4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione
TL;DR: 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione (CAS 118214-96-3) is a chemical compound with molecular formula C22H20N6O3 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2H,4aH,5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione, 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione, 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-6,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(2H,4aH)-dione, 6,8-Dimethyl-2,4a-dihydro-3-(4-methoxyphenyl)-4a-(1H-indol-3-yl)pyrimido[5,4-e]-1,2,4-triazine-5,7(6H,8H)-dione
| Molecular Formula | C22H20N6O3 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 2.2591 |
| Topological Polar Surface Area | 102.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.1597 |
| Heavy Atoms | 31 |
| Complexity | 1275.8981 |
Chemical Identifiers
| CAS Number | 118214-96-3 |
|---|---|
| SMILES | CN1C2=NNC(=NC2(C(=O)N(C1=O)C)C3=CNC4=CC=CC=C43)C5=CC=C(C=C5)OC |
Product Overview
4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione (CAS 118214-96-3), with molecular formula C22H20N6O3 and molecular weight 416.16 g/mol. IUPAC: 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione
Property Insights of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione
The XLogP value of 2.2591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione. The TPSA of 102.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione. Following Lipinski's Rule of Five, 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione has 2 hydrogen bond donor(s) and 6 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 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione?
The CAS number of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione is 118214-96-3.
What is the molecular formula of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione?
The molecular formula of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione is C22H20N6O3.
What is the molecular weight of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione?
The molecular weight of 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione is 416.16 g/mol.
Where can I buy 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione?
You can request a quote for 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4a-(1H-indol-3-yl)-3-(4-methoxyphenyl)-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.