TL;DR: methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate (CAS 899394-00-4) is a chemical compound with molecular formula C18H17N5O4 and molecular weight 367.12805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4,7-dimethyl-1,3-dioxo-6-phenylpurino[7,8-a]imidazol-2-yl)acetate
Also Known As: methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate, methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, methyl 2-(4,7-dimethyl-1,3-dioxo-6-phenylpurino[7,8-a]imidazol-2-yl)acetate, methyl (1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)acetate
| Molecular Formula | C18H17N5O4 |
| Molecular Weight | 367.12805 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.12805 Da |
| Heavy Atoms | 27 |
| Complexity | 637.0 |
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)OC)C |
| InChIKey | UURNQIAUVGBUGN-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate is 899394-00-4.
The molecular formula of methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate is C18H17N5O4.
The molecular weight of methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl)acetate is 367.12805 g/mol.
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