1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
TL;DR: 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione (CAS 1024342-07-1) is a chemical compound with molecular formula C14H10N6O6 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dimethyl-3-(6-nitro-1,3-benzodioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, 1,6-dimethyl-3-(6-nitro-1,3-benzodioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
| Molecular Formula | C14H10N6O6 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | -0.3223 |
| Topological Polar Surface Area | 144.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.0662 |
| Heavy Atoms | 26 |
| Complexity | 1165.7837 |
Chemical Identifiers
| CAS Number | 1024342-07-1 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C |
Product Overview
1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione (CAS 1024342-07-1), with molecular formula C14H10N6O6 and molecular weight 358.07 g/mol. IUPAC: 1,6-dimethyl-3-(6-nitro-1,3-benzodioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
Property Insights of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
The XLogP value of -0.3223 indicates that 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.27 Ų indicates high polarity, suggesting 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione has 0 hydrogen bond donor(s) and 9 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 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione?
The CAS number of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione is 1024342-07-1.
What is the molecular formula of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione?
The molecular formula of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione is C14H10N6O6.
What is the molecular weight of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione?
The molecular weight of 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione is 358.07 g/mol.
Where can I buy 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione?
You can request a quote for 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dimethyl-3-(6-nitrobenzo[d][1,3]dioxol-5-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.