![4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid structure](/static/products/304/304879-56-9.png)
4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid
TL;DR: 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid (CAS 304879-56-9) is a chemical compound with molecular formula C22H17BrN6O4 and molecular weight 508.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-4H-purino[8,7-c][1,2,4]triazin-1-yl]benzoic acid
Also Known As: 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid, 4-[3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-4H-purino[8,7-c][1,2,4]triazin-1-yl]benzoic acid, 4-[3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]benzoic acid
| Molecular Formula | C22H17BrN6O4 |
|---|---|
| Molecular Weight | 508.05 g/mol |
| LogP | 2.4504 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 508.04947 |
| Heavy Atoms | 33 |
| Complexity | 1579.1611 |
Chemical Identifiers
| CAS Number | 304879-56-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)Br |
Product Overview
4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid (CAS 304879-56-9), with molecular formula C22H17BrN6O4 and molecular weight 508.05 g/mol. IUPAC: 4-[3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-4H-purino[8,7-c][1,2,4]triazin-1-yl]benzoic acid.
Chemical Property Profile of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid
Property Insights of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid
The XLogP value of 2.4504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid. The TPSA of 114.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid?
The CAS number of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid is 304879-56-9.
What is the molecular formula of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid?
The molecular formula of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid is C22H17BrN6O4.
What is the molecular weight of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid?
The molecular weight of 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid is 508.05 g/mol.
Where can I buy 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid?
You can request a quote for 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-bromophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.