![3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione structure](/static/products/839/839700-79-7.png)
3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
TL;DR: 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 839700-79-7) is a chemical compound with molecular formula C29H24N6O3 and molecular weight 504.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-7,9-dimethyl-4-phenyl-3-(4-phenylphenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione, 1-acetyl-3-(biphenyl-4-yl)-7,9-dimethyl-4-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 1-acetyl-7,9-dimethyl-4-phenyl-3-(4-phenylphenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
| Molecular Formula | C29H24N6O3 |
|---|---|
| Molecular Weight | 504.19 g/mol |
| LogP | 3.4609 |
| Topological Polar Surface Area | 94.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.19098 |
| Heavy Atoms | 38 |
| Complexity | 1848.9512 |
Chemical Identifiers
| CAS Number | 839700-79-7 |
|---|---|
| SMILES | CC(=O)N1C2=NC3=C(N2C(C(=N1)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N(C(=O)N3C)C |
Product Overview
3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione (CAS 839700-79-7), with molecular formula C29H24N6O3 and molecular weight 504.19 g/mol. IUPAC: 1-acetyl-7,9-dimethyl-4-phenyl-3-(4-phenylphenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
Property Insights of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
The XLogP value of 3.4609 indicates that 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione. Following Lipinski's Rule of Five, 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The CAS number of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 839700-79-7.
What is the molecular formula of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular formula of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is C29H24N6O3.
What is the molecular weight of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
The molecular weight of 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione is 504.19 g/mol.
Where can I buy 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
You can request a quote for 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-([1,1'-biphenyl]-4-yl)-1-acetyl-7,9-dimethyl-4-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.