TL;DR: Ethane, 1,2-bis(beta-(phthalimido)ethylthio)- (CAS 63938-35-2) is a chemical compound with molecular formula C22H20N2O4S2 and molecular weight 440.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]ethylsulfanyl]ethyl]isoindole-1,3-dione
Also Known As: 1,2-Bis(beta-(phthalimido)ethylthio)ethane, ETHANE, 1,2-BIS(beta-(PHTHALIMIDO)ETHYLTHIO)-, 4-21-00-05069 (Beilstein Handbook Reference), 1,2-Bis[2-(1,3-dioxoisoindolin-2-yl)ethylthio]ethane, 1H-Isoindole-1,3(2H)-dione, 2,2'-[1,2-ethanediylbis(thio-2,1-ethanediyl)]bis-
| Molecular Formula | C22H20N2O4S2 |
| Molecular Weight | 440.08646 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.08646 Da |
| Heavy Atoms | 30 |
| Complexity | 595.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCCSCCN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | ZPFJVFACRJSQPC-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane, 1,2-bis(beta-(phthalimido)ethylthio)-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethane, 1,2-bis(beta-(phthalimido)ethylthio)-. Following Lipinski's Rule of Five, Ethane, 1,2-bis(beta-(phthalimido)ethylthio)- 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 Ethane, 1,2-bis(beta-(phthalimido)ethylthio)- is 63938-35-2.
The molecular formula of Ethane, 1,2-bis(beta-(phthalimido)ethylthio)- is C22H20N2O4S2.
The molecular weight of Ethane, 1,2-bis(beta-(phthalimido)ethylthio)- is 440.08646 g/mol.
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