(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester
TL;DR: (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester (CAS 105774-57-0) is a chemical compound with molecular formula C25H24N6O4 and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,9-dimethyl-6,8-dioxo-1,3-diphenyl-4H-purino[8,7-c][1,2,4]triazin-7-yl)acetate
Also Known As: (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester, Ethyl (4,9-dimethyl-6,8-dioxo-1,3-diphenyl-1,6,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-7(4H)-yl)acetate, ethyl 2-(4,9-dimethyl-6,8-dioxo-1,3-diphenyl-4H-purino[8,7-c][1,2,4]triazin-7-yl)acetate, BRN 5675856, RefChem:204157
| Molecular Formula | C25H24N6O4 |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 2.5768 |
| Topological Polar Surface Area | 103.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1859 |
| Heavy Atoms | 35 |
| Complexity | 1567.0428 |
Chemical Identifiers
| CAS Number | 105774-57-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C)N(C1=O)C |
Product Overview
(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester (CAS 105774-57-0), with molecular formula C25H24N6O4 and molecular weight 472.19 g/mol. IUPAC: ethyl 2-(4,9-dimethyl-6,8-dioxo-1,3-diphenyl-4H-purino[8,7-c][1,2,4]triazin-7-yl)acetate.
Chemical Property Profile of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester
Property Insights of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester
The XLogP value of 2.5768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester. The TPSA of 103.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester. Following Lipinski's Rule of Five, (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester has 0 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 (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester?
The CAS number of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester is 105774-57-0.
What is the molecular formula of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester?
The molecular formula of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester is C25H24N6O4.
What is the molecular weight of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester?
The molecular weight of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester is 472.19 g/mol.
Where can I buy (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester?
You can request a quote for (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1,6,8,9-tetrahydro-4,9-dimethyl-6,8-dioxo-1,3-diphenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.