![9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione structure](/static/products/3132/313255-29-7.webp)
9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
TL;DR: 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione (CAS 313255-29-7) is a chemical compound with molecular formula C14H11N7O4 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3-(3-nitrophenyl)-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione, 9-methyl-3-(3-nitrophenyl)-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione, 9-methyl-3-(3-nitrophenyl)-5,7,9-trihydro-1H,4H-1,2,4-triazino[4,3-h]purine-6, 8-dione
| Molecular Formula | C14H11N7O4 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 0.1613 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.08725 |
| Heavy Atoms | 25 |
| Complexity | 1184.0889 |
Chemical Identifiers
| CAS Number | 313255-29-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CC(=NNC3=N2)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione (CAS 313255-29-7), with molecular formula C14H11N7O4 and molecular weight 341.09 g/mol. IUPAC: 9-methyl-3-(3-nitrophenyl)-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
Property Insights of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
The XLogP value of 0.1613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione. The TPSA of 140.21 Ų indicates high polarity, suggesting 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione has 2 hydrogen bond donor(s) and 7 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 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione?
The CAS number of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione is 313255-29-7.
What is the molecular formula of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione?
The molecular formula of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione is C14H11N7O4.
What is the molecular weight of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione?
The molecular weight of 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione is 341.09 g/mol.
Where can I buy 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione?
You can request a quote for 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.