TL;DR: RefChem:204143 (CAS 106087-42-7) is a chemical compound with molecular formula C20H30N8O4 and molecular weight 446.239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,9-trimethyl-1,7-bis(morpholin-4-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(morpholinomethyl)-3,4,9-trimethyl-, 3,4,9-trimethyl-1,7-bis(morpholin-4-ylmethyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 3,4,9-Trimethyl-1,7-bis[(morpholin-4-yl)methyl]-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
| Molecular Formula | C20H30N8O4 |
| Molecular Weight | 446.239 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.239 Da |
| Heavy Atoms | 32 |
| Complexity | 769.0 |
| SMILES | CC1C(=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CN4CCOCC4)CN5CCOCC5)C |
| InChIKey | TWEJLHMBQRPOSF-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that RefChem:204143 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204143. Following Lipinski's Rule of Five, RefChem:204143 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:204143 is 106087-42-7.
The molecular formula of RefChem:204143 is C20H30N8O4.
The molecular weight of RefChem:204143 is 446.239 g/mol.
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