TL;DR: RefChem:869508 (CAS 55250-78-7) is a chemical compound with molecular formula C15H24N2O6S2 and molecular weight 392.10757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,4-dimethyl-2,5-dioxo-3-[2-(3-sulfanylpropanoyloxy)ethyl]imidazolidin-1-yl]ethyl 3-sulfanylpropanoate
Also Known As: KST-1A6112, (4,4-Dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl 3-mercaptopropionate, 3-Mercaptopropionic acid, 1,3-bis(2-hydroxyethyl)-5,5-dimethylhydantoin diester, (4,4-dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethane-2,1-diyl bis(3-sulfanylpropanoate), Propanoic acid, 3-mercapto-, (4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl ester
| Molecular Formula | C15H24N2O6S2 |
| Molecular Weight | 392.10757 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 392.10757 Da |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
| SMILES | CC1(C(=O)N(C(=O)N1CCOC(=O)CCS)CCOC(=O)CCS)C |
| InChIKey | LJOCSZWVBPUWHF-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:869508. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869508. Following Lipinski's Rule of Five, RefChem:869508 has 2 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 RefChem:869508 is 55250-78-7.
The molecular formula of RefChem:869508 is C15H24N2O6S2.
The molecular weight of RefChem:869508 is 392.10757 g/mol.
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