TL;DR: (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl- (CAS 106087-45-0) is a chemical compound with molecular formula C27H36N8O2 and molecular weight 504.2961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,9-dimethyl-3-phenyl-1,7-bis(piperidin-1-ylmethyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl-, 4,9-dimethyl-3-phenyl-1,7-bis(piperidin-1-ylmethyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 4,9-Dimethyl-3-phenyl-1,7-bis[(piperidin-1-yl)methyl]-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
| Molecular Formula | C27H36N8O2 |
| Molecular Weight | 504.2961 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.2961 Da |
| Heavy Atoms | 37 |
| Complexity | 880.0 |
| SMILES | CC1C(=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CN4CCCCC4)CN5CCCCC5)C6=CC=CC=C6 |
| InChIKey | UDUGWGFPLWIWNI-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl-. Following Lipinski's Rule of Five, (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl- is 106087-45-0.
The molecular formula of (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl- is C27H36N8O2.
The molecular weight of (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-1,7-bis(piperidinomethyl)-4,9-dimethyl-3-phenyl- is 504.2961 g/mol.
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