TL;DR: Ccris 6972 (CAS 154869-41-7) is a chemical compound with molecular formula C20H28O8 and molecular weight 396.1784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(8S,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone
Also Known As: (8S-(8R*,16R*))-8,16-Bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone, 1,9-Dioxacyclohexadecane-2,5,10,13-tetrone, 8,16-bis(2-oxopropyl)-, (8S-(8R*,16R*))-, (8S,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone, 8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone, CCRIS 6972
| Molecular Formula | C20H28O8 |
| Molecular Weight | 396.1784 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.1784 Da |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
| SMILES | CC(=O)C[C@@H]1CCC(=O)CCC(=O)O[C@@H](CCC(=O)CCC(=O)O1)CC(=O)C |
| InChIKey | BANPLRUNKASJCB-ROUUACIJSA-N |
The XLogP value of -0.8 indicates that Ccris 6972 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ccris 6972. Following Lipinski's Rule of Five, Ccris 6972 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ccris 6972 is 154869-41-7.
The molecular formula of Ccris 6972 is C20H28O8.
The molecular weight of Ccris 6972 is 396.1784 g/mol.
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