TL;DR: 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- (CAS 107888-05-1) is a chemical compound with molecular formula C38H30N4O6S2 and molecular weight 702.1607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-1-(3-methoxyphenyl)-4-[[2-[[(E)-[1-(3-methoxyphenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione
Also Known As: 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo-, (4E)-1-(3-methoxyphenyl)-4-[[2-[[(E)-[1-(3-methoxyphenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione
| Molecular Formula | C38H30N4O6S2 |
| Molecular Weight | 702.1607 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 702.1607 Da |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
| SMILES | COC1=CC=CC(=C1)N2C(=S)/C(=C(/NCCN/C(=C\3/C(=S)N(C(=O)C3=O)C4=CC(=CC=C4)OC)/C5=CC=CC=C5)\C6=CC=CC=C6)/C(=O)C2=O |
| InChIKey | HBYSDNCDKCTDIR-JWTBXLROSA-N |
The XLogP value of 7.5 indicates that 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- is 107888-05-1.
The molecular formula of 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- is C38H30N4O6S2.
The molecular weight of 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methoxyphenyl)-5-thioxo- is 702.1607 g/mol.
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