TL;DR: 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione (CAS 923472-27-9) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.2114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7,8-trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
Also Known As: F3164-0440, 1,6,7-trimethyl-8-(2-propoxyphenyl)-3-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 4,7,8-trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione, 1,6,7-trimethyl-8-(2-propoxyphenyl)-3-propyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 1,6,7-trimethyl-8-(2-propoxyphenyl)-3-propyl-1,3,5-trihydro-4-imidazolino[1,2- h]purine-2,4-dione
| Molecular Formula | C22H27N5O3 |
| Molecular Weight | 409.2114 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.2114 Da |
| Heavy Atoms | 30 |
| Complexity | 661.0 |
| SMILES | CCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=CC=C4OCCC)C)C)N(C1=O)C |
| InChIKey | LRSVJFOQXWYWKM-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione. Following Lipinski's Rule of Five, 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione is 923472-27-9.
The molecular formula of 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione is C22H27N5O3.
The molecular weight of 4,7,8-Trimethyl-6-(2-propoxyphenyl)-2-propylpurino[7,8-a]imidazole-1,3-dione is 409.2114 g/mol.
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