TL;DR: 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)- (CAS 60012-88-6) is a chemical compound with molecular formula C17H30N2O4 and molecular weight 326.22055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8-bis(diethylaminomethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
Also Known As: 3,8-Bis((diethylamino)methyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione, 2,7-bis(diethylaminomethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione, 2,7-DIOXASPIRO(4.4)NONANE-1,6-DIONE, 3,8-BIS((DIETHYLAMINO)METHYL)-, 3,8-bis[(diethylamino)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
| Molecular Formula | C17H30N2O4 |
| Molecular Weight | 326.22055 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.22055 Da |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
| SMILES | CCN(CC)CC1CC2(CC(OC2=O)CN(CC)CC)C(=O)O1 |
| InChIKey | ZGFKGZJYOYPZLW-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)-. With a topological polar surface area (TPSA) of 59.1 Ų, 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)- is 60012-88-6.
The molecular formula of 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)- is C17H30N2O4.
The molecular weight of 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-bis((diethylamino)methyl)- is 326.22055 g/mol.
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