TL;DR: (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione (CAS 309738-21-4) is a chemical compound with molecular formula C24H27NO5 and molecular weight 409.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione, 4-benzoyl-1-hexyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C24H27NO5 |
| Molecular Weight | 409.18893 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.18893 Da |
| Heavy Atoms | 30 |
| Complexity | 640.0 |
| SMILES | CCCCCCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OC |
| InChIKey | CSRLOLDGDZTGPH-LSDHQDQOSA-N |
The XLogP value of 4.9 indicates that (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is 309738-21-4.
The molecular formula of (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is C24H27NO5.
The molecular weight of (4E)-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is 409.18893 g/mol.
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