TL;DR: RefChem:248841 (CAS 66223-13-0) is a chemical compound with molecular formula C26H40N2O11 and molecular weight 556.2632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(8-methyl-3-(morpholin-4-ylmethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione);hydrate
Also Known As: 3-Methyl-8-(4-morpholinylmethyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione hemihydrate, 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-(4-morpholinylmethyl)-, hydrate (2:1), 7-Methyl-2-(morpholin-4-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dionehydrate, 2,7-DIOXASPIRO(4.4)NONANE-1,6-DIONE, 3-METHYL-8-(4-MORPHOLINYLMETHYL)-, HYDRATE, 2-methyl-7-(morpholin-4-ylmethyl)-3,8-dioxaspiro[4.4]nonane-4,9-dione hydrate
| Molecular Formula | C26H40N2O11 |
| Molecular Weight | 556.2632 g/mol |
| XLogP | -0.91 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 556.2632 Da |
| Heavy Atoms | 39 |
| Complexity | 392.0 |
| SMILES | CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1.CC1CC2(CC(OC2=O)CN3CCOCC3)C(=O)O1.O |
| InChIKey | RLFXHPIUFSECLZ-UHFFFAOYSA-N |
The XLogP value of -0.91 indicates that RefChem:248841 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:248841. Following Lipinski's Rule of Five, RefChem:248841 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:248841 is 66223-13-0.
The molecular formula of RefChem:248841 is C26H40N2O11.
The molecular weight of RefChem:248841 is 556.2632 g/mol.
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