AC1MIBLC
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate
Also Known As: Demethyletofyllineclofibrate|ML 1028|ML-1028|Propanoic acid, 2-(4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester|2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate|2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate|2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate|2-(4-Chlorophenoxy)propionic acid 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
| Molecular Formula | C18H19ClN4O5 |
|---|---|
| Molecular Weight | 406.1044 g/mol |
| LogP | 1.0978 |
| Topological Polar Surface Area | 97.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1044 |
| Monoisotopic Mass | 406.1044 |
| Heavy Atoms | 28 |
| Complexity | 1129.814 |
Chemical Identifiers
| CAS Number | 54504-75-5 |
|---|---|
| SMILES | CC(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl |
Product Overview
AC1MIBLC (CAS 54504-75-5), with molecular formula C18H19ClN4O5 and molecular weight 406.1044 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate.