TL;DR: Diethyl malonimidate (CAS 10344-69-1) is a chemical compound with molecular formula C7H16Cl2N2O2 and molecular weight 230.05888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl propanediimidate;dihydrochloride
Also Known As: Diethyl malonimidate dihydrochloride, Diethyl malonimidate, diethyl malonimidate 2hcl, diethyl propanediimidate, diethyl propanediimidate;dihydrochloride
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H16Cl2N2O2 |
| Molecular Weight | 230.05888 g/mol |
| XLogP | 2.25 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.05888 Da |
| Heavy Atoms | 13 |
| Complexity | 129.0 |
| SMILES | CCOC(=N)CC(=N)OCC.Cl.Cl |
| InChIKey | TWUQXVGHXWRUBR-UHFFFAOYSA-N |
The XLogP value of 2.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl malonimidate. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl malonimidate. Following Lipinski's Rule of Five, Diethyl malonimidate has 4 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 Diethyl malonimidate is 10344-69-1.
The molecular formula of Diethyl malonimidate is C7H16Cl2N2O2.
The molecular weight of Diethyl malonimidate is 230.05888 g/mol.
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